N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide

C22H22N6O — CID 66723582

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)ccc2n1
InChIInChI=1S/C22H22N6O/c1-14-3-5-17-9-16(4-7-20(17)26-14)12-28-13-19(11-25-28)22(29)24-10-18-6-8-21(23)27-15(18)2/h3-9,11,13H,10,12H2,1-2H3,(H2,23,27)(H,24,29)
InChIKeyATRKABUPNXFPKF-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.00
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide (PubChem CID 66723582) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide
PubChem CID66723582
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)ccc2n1
InChIInChI=1S/C22H22N6O/c1-14-3-5-17-9-16(4-7-20(17)26-14)12-28-13-19(11-25-28)22(29)24-10-18-6-8-21(23)27-15(18)2/h3-9,11,13H,10,12H2,1-2H3,(H2,23,27)(H,24,29)
InChIKeyATRKABUPNXFPKF-UHFFFAOYSA-N
XLogP3.00
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide (CID 66723582) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide is Cc1ccc2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)ccc2n1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ATRKABUPNXFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-3-5-17-9-16(4-7-20(17)26-14)12-28-13-19(11-25-28)22(29)24-10-18-6-8-21(23)27-15(18)2/h3-9,11,13H,10,12H2,1-2H3,(H2,23,27)(H,24,29).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 66723582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).