4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide

C23H29ClN6O3 — CID 67502506

IUPAC4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
SMILESCC(=O)N1CCCC(CNc2cc(Nc3ccc(C(=O)N(C)C)c(Cl)c3)ncc2C(N)=O)C1
InChIInChI=1S/C23H29ClN6O3/c1-14(31)30-8-4-5-15(13-30)11-26-20-10-21(27-12-18(20)22(25)32)28-16-6-7-17(19(24)9-16)23(33)29(2)3/h6-7,9-10,12,15H,4-5,8,11,13H2,1-3H3,(H2,25,32)(H2,26,27,28)
InChIKeyVKXRVDXNGORORK-UHFFFAOYSA-N
MW472.98 g/mol
LogP2.95
Rot. Bonds7

About 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide

4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide (PubChem CID 67502506) has the molecular formula C23H29ClN6O3 and a molecular weight of 472.98 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
PubChem CID67502506
Molecular FormulaC23H29ClN6O3
Molecular Weight472.98 g/mol
Exact Mass472.20
IUPAC Name4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
SMILESCC(=O)N1CCCC(CNc2cc(Nc3ccc(C(=O)N(C)C)c(Cl)c3)ncc2C(N)=O)C1
InChIInChI=1S/C23H29ClN6O3/c1-14(31)30-8-4-5-15(13-30)11-26-20-10-21(27-12-18(20)22(25)32)28-16-6-7-17(19(24)9-16)23(33)29(2)3/h6-7,9-10,12,15H,4-5,8,11,13H2,1-3H3,(H2,25,32)(H2,26,27,28)
InChIKeyVKXRVDXNGORORK-UHFFFAOYSA-N
XLogP2.95
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide (CID 67502506) is 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide is CC(=O)N1CCCC(CNc2cc(Nc3ccc(C(=O)N(C)C)c(Cl)c3)ncc2C(N)=O)C1.
What is the InChIKey of 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
The InChIKey is VKXRVDXNGORORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O3/c1-14(31)30-8-4-5-15(13-30)11-26-20-10-21(27-12-18(20)22(25)32)28-16-6-7-17(19(24)9-16)23(33)29(2)3/h6-7,9-10,12,15H,4-5,8,11,13H2,1-3H3,(H2,25,32)(H2,26,27,28).
What are the key properties of 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67502506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).