N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid

C43H41Cl3N12O3 — CID 159879873

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cc1nc(N)cc(Cl)c1CN.O=C(O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C22H21ClN6O.C14H10ClN3O2.C7H10ClN3/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;15-11-1-2-13-10(5-11)7-18(17-13)8-12-6-9(14(19)20)3-4-16-12;1-4-5(3-9)6(8)2-7(10)11-4/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);1-7H,8H2,(H,19,20);2H,3,9H2,1H3,(H2,10,11)
InChIKeyNTJVKZQJHWPNEQ-UHFFFAOYSA-N
MW880.24 g/mol
LogP7.57
Rot. Bonds9

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 159879873) has the molecular formula C43H41Cl3N12O3 and a molecular weight of 880.24 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid
PubChem CID159879873
Molecular FormulaC43H41Cl3N12O3
Molecular Weight880.24 g/mol
Exact Mass878.25
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cc1nc(N)cc(Cl)c1CN.O=C(O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C22H21ClN6O.C14H10ClN3O2.C7H10ClN3/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;15-11-1-2-13-10(5-11)7-18(17-13)8-12-6-9(14(19)20)3-4-16-12;1-4-5(3-9)6(8)2-7(10)11-4/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);1-7H,8H2,(H,19,20);2H,3,9H2,1H3,(H2,10,11)
InChIKeyNTJVKZQJHWPNEQ-UHFFFAOYSA-N
XLogP7.57
TPSA231.66 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.24
LogP ≤ 57.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid (CID 159879873) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.Cc1nc(N)cc(Cl)c1CN.O=C(O)c1ccnc(Cn2cc3cc(Cl)ccc3n2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is NTJVKZQJHWPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C14H10ClN3O2.C7H10ClN3/c1-13-7-21(24)27-14(2)19(13)10-26-22(30)15-5-6-25-18(9-15)12-29-11-16-8-17(23)3-4-20(16)28-29;15-11-1-2-13-10(5-11)7-18(17-13)8-12-6-9(14(19)20)3-4-16-12;1-4-5(3-9)6(8)2-7(10)11-4/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,26,30);1-7H,8H2,(H,19,20);2H,3,9H2,1H3,(H2,10,11).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 880.24 g/mol, XLogP of 7.57, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4-chloro-6-methylpyridin-2-amine;2-[(5-chloroindazol-2-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159879873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).