N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide

C21H27N5O2 — CID 134798498

IUPACN-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCC(C(=O)NCC3CC3)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-28-18-5-3-2-4-17(18)24-19-8-11-22-21(25-19)26-12-9-16(10-13-26)20(27)23-14-15-6-7-15/h2-5,8,11,15-16H,6-7,9-10,12-14H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyQQFOHKYMKCAMEX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.97
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 134798498) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID134798498
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCC(C(=O)NCC3CC3)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-28-18-5-3-2-4-17(18)24-19-8-11-22-21(25-19)26-12-9-16(10-13-26)20(27)23-14-15-6-7-15/h2-5,8,11,15-16H,6-7,9-10,12-14H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyQQFOHKYMKCAMEX-UHFFFAOYSA-N
XLogP2.97
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 134800551
N-(cycloheptylmethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134800003
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
CID 134798788
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 134797703
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134797747
(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134796519
N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134798017
1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134795817
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide (CID 134798498) is N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide is COc1ccccc1Nc1ccnc(N2CCC(C(=O)NCC3CC3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is QQFOHKYMKCAMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-18-5-3-2-4-17(18)24-19-8-11-22-21(25-19)26-12-9-16(10-13-26)20(27)23-14-15-6-7-15/h2-5,8,11,15-16H,6-7,9-10,12-14H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 134798498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).