6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide

C24H24ClN5O2 — CID 164884802

IUPAC6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCc3ccnc(N)c3)cn2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-15(31)30(14-16-2-3-16)22-7-5-18(11-20(22)25)21-6-4-19(13-28-21)24(32)29-12-17-8-9-27-23(26)10-17/h4-11,13,16H,2-3,12,14H2,1H3,(H2,26,27)(H,29,32)
InChIKeyWJNVPXSAKNIJQI-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.07
Rot. Bonds7

About 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide

6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 164884802) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID164884802
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCc3ccnc(N)c3)cn2)cc1Cl
InChIInChI=1S/C24H24ClN5O2/c1-15(31)30(14-16-2-3-16)22-7-5-18(11-20(22)25)21-6-4-19(13-28-21)24(32)29-12-17-8-9-27-23(26)10-17/h4-11,13,16H,2-3,12,14H2,1H3,(H2,26,27)(H,29,32)
InChIKeyWJNVPXSAKNIJQI-UHFFFAOYSA-N
XLogP4.07
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166131077
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 166131232
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[2-(6-isocyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 172500675
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
CID 166131176
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
CID 167199889
6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 166130990
6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide
CID 166131221
6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884743
methyl 2-[acetyl(cyclopropylmethyl)amino]-5-[5-[3-(1H-pyrazol-4-yl)propylcarbamoyl]-2-pyridinyl]benzoate
CID 166131041
(E)-N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]-3-(2-fluoro-3-pyridinyl)prop-2-enamide
CID 166131233
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 166131002
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 164884802) is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide is CC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCc3ccnc(N)c3)cn2)cc1Cl.
What is the InChIKey of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is WJNVPXSAKNIJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-15(31)30(14-16-2-3-16)22-7-5-18(11-20(22)25)21-6-4-19(13-28-21)24(32)29-12-17-8-9-27-23(26)10-17/h4-11,13,16H,2-3,12,14H2,1H3,(H2,26,27)(H,29,32).
What are the key properties of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide?
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 164884802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).