N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide

C21H25N5O2 — CID 47062568

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1)NC1CC1
InChIInChI=1S/C21H25N5O2/c27-20(18-5-4-12-22-19(18)26-13-2-1-3-14-26)23-15-6-8-16(9-7-15)24-21(28)25-17-10-11-17/h4-9,12,17H,1-3,10-11,13-14H2,(H,23,27)(H2,24,25,28)
InChIKeyGRSQCGFRBMVSGX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 47062568) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID47062568
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1)NC1CC1
InChIInChI=1S/C21H25N5O2/c27-20(18-5-4-12-22-19(18)26-13-2-1-3-14-26)23-15-6-8-16(9-7-15)24-21(28)25-17-10-11-17/h4-9,12,17H,1-3,10-11,13-14H2,(H,23,27)(H2,24,25,28)
InChIKeyGRSQCGFRBMVSGX-UHFFFAOYSA-N
XLogP3.61
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55906780
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 35344149
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119458333
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 47062568) is N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is GRSQCGFRBMVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(18-5-4-12-22-19(18)26-13-2-1-3-14-26)23-15-6-8-16(9-7-15)24-21(28)25-17-10-11-17/h4-9,12,17H,1-3,10-11,13-14H2,(H,23,27)(H2,24,25,28).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 47062568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).