N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide

C22H29N5O — CID 46955599

IUPACN-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide
SMILESCN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)C1CCCCC1
InChIInChI=1S/C22H29N5O/c1-26(21(28)18-7-3-2-4-8-18)16-20-19(17-9-11-23-12-10-17)15-24-22(25-20)27-13-5-6-14-27/h9-12,15,18H,2-8,13-14,16H2,1H3
InChIKeyCXZQERRYXNEPPQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.68
Rot. Bonds5

About N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide

N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 46955599) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide
PubChem CID46955599
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide
SMILESCN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)C1CCCCC1
InChIInChI=1S/C22H29N5O/c1-26(21(28)18-7-3-2-4-8-18)16-20-19(17-9-11-23-12-10-17)15-24-22(25-20)27-13-5-6-14-27/h9-12,15,18H,2-8,13-14,16H2,1H3
InChIKeyCXZQERRYXNEPPQ-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 46955605
N,5-dimethyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]thiophene-3-carboxamide;hydrochloride
CID 171670559
N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 110226194
N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 92580651
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219759
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78852400
1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 46960984
N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 46967015
1-N,1-N,3-N-trimethyl-3-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 72842603

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide (CID 46955599) is N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide is CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is CXZQERRYXNEPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26(21(28)18-7-3-2-4-8-18)16-20-19(17-9-11-23-12-10-17)15-24-22(25-20)27-13-5-6-14-27/h9-12,15,18H,2-8,13-14,16H2,1H3.
What are the key properties of N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide?
N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 46955599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).