N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide

C27H28ClN5O2 — CID 126501514

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C27H28ClN5O2/c1-15-7-24(29)33-16(2)22(15)14-32-26(34)18-5-6-30-21(12-18)9-17-8-19-11-20(28)13-31-25(19)23(10-17)27(3,4)35/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,33)(H,32,34)
InChIKeyCAMCXNZEUNOLQS-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.63
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide (PubChem CID 126501514) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide
PubChem CID126501514
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C27H28ClN5O2/c1-15-7-24(29)33-16(2)22(15)14-32-26(34)18-5-6-30-21(12-18)9-17-8-19-11-20(28)13-31-25(19)23(10-17)27(3,4)35/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,33)(H,32,34)
InChIKeyCAMCXNZEUNOLQS-UHFFFAOYSA-N
XLogP4.63
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide (CID 126501514) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The InChIKey is CAMCXNZEUNOLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c1-15-7-24(29)33-16(2)22(15)14-32-26(34)18-5-6-30-21(12-18)9-17-8-19-11-20(28)13-31-25(19)23(10-17)27(3,4)35/h5-8,10-13,35H,9,14H2,1-4H3,(H2,29,33)(H,32,34).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126501514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).