N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

C21H27N5O2 — CID 131919994

IUPACN-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)c3cccn3C3CC3)CC2)nc(C)n1
InChIInChI=1S/C21H27N5O2/c1-14-12-18(24-15(2)23-14)20(27)22-13-16-7-10-25(11-8-16)21(28)19-4-3-9-26(19)17-5-6-17/h3-4,9,12,16-17H,5-8,10-11,13H2,1-2H3,(H,22,27)
InChIKeyWJKRWDIDMUSROZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.51
Rot. Bonds5

About N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131919994) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131919994
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)c3cccn3C3CC3)CC2)nc(C)n1
InChIInChI=1S/C21H27N5O2/c1-14-12-18(24-15(2)23-14)20(27)22-13-16-7-10-25(11-8-16)21(28)19-4-3-9-26(19)17-5-6-17/h3-4,9,12,16-17H,5-8,10-11,13H2,1-2H3,(H,22,27)
InChIKeyWJKRWDIDMUSROZ-UHFFFAOYSA-N
XLogP2.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
2,6-dimethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
CID 129340522
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131949570
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80564395
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
methyl (3S)-3-[4-(1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]butanoate
CID 99820803
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 107301072

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 131919994) is N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2CCN(C(=O)c3cccn3C3CC3)CC2)nc(C)n1.
What is the InChIKey of N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is WJKRWDIDMUSROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-12-18(24-15(2)23-14)20(27)22-13-16-7-10-25(11-8-16)21(28)19-4-3-9-26(19)17-5-6-17/h3-4,9,12,16-17H,5-8,10-11,13H2,1-2H3,(H,22,27).
What are the key properties of N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131919994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).