6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide

C20H20N4O2 — CID 166131221

IUPAC6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(N(CC3CC3)C(C)=O)c(C#N)c2)nc1
InChIInChI=1S/C20H20N4O2/c1-13(25)24(12-14-3-4-14)19-8-6-15(9-17(19)10-21)18-7-5-16(11-23-18)20(26)22-2/h5-9,11,14H,3-4,12H2,1-2H3,(H,22,26)
InChIKeyLGSBTCMPFKUCNP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds5

About 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide

6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide (PubChem CID 166131221) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide
PubChem CID166131221
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(N(CC3CC3)C(C)=O)c(C#N)c2)nc1
InChIInChI=1S/C20H20N4O2/c1-13(25)24(12-14-3-4-14)19-8-6-15(9-17(19)10-21)18-7-5-16(11-23-18)20(26)22-2/h5-9,11,14H,3-4,12H2,1-2H3,(H,22,26)
InChIKeyLGSBTCMPFKUCNP-UHFFFAOYSA-N
XLogP2.74
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide (CID 166131221) is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(N(CC3CC3)C(C)=O)c(C#N)c2)nc1.
What is the InChIKey of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is LGSBTCMPFKUCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(25)24(12-14-3-4-14)19-8-6-15(9-17(19)10-21)18-7-5-16(11-23-18)20(26)22-2/h5-9,11,14H,3-4,12H2,1-2H3,(H,22,26).
What are the key properties of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide?
6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 166131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).