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

C25H28N4O2 — CID 164884821

IUPAC6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cn2)cc1C
InChIInChI=1S/C25H28N4O2/c1-5-13-29(19(4)30)24-11-9-20(14-17(24)2)23-10-8-22(16-27-23)25(31)28-15-21-7-6-12-26-18(21)3/h6-12,14,16H,5,13,15H2,1-4H3,(H,28,31)
InChIKeyNSOQRQVNPUFKQE-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.45
Rot. Bonds7

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

6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 164884821) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID164884821
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cn2)cc1C
InChIInChI=1S/C25H28N4O2/c1-5-13-29(19(4)30)24-11-9-20(14-17(24)2)23-10-8-22(16-27-23)25(31)28-15-21-7-6-12-26-18(21)3/h6-12,14,16H,5,13,15H2,1-4H3,(H,28,31)
InChIKeyNSOQRQVNPUFKQE-UHFFFAOYSA-N
XLogP4.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate
CID 164884835
6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884825
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079
N-ethyl-6-quinolin-6-ylpyridine-3-carboxamide
CID 50955108
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
CID 166131176
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884802
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884743
6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide
CID 166131221

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 164884821) is 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide is CCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cn2)cc1C.
What is the InChIKey of 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is NSOQRQVNPUFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-5-13-29(19(4)30)24-11-9-20(14-17(24)2)23-10-8-22(16-27-23)25(31)28-15-21-7-6-12-26-18(21)3/h6-12,14,16H,5,13,15H2,1-4H3,(H,28,31).
What are the key properties of 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 164884821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).