(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide

C17H27N5O — CID 124989326

IUPAC(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
SMILESCN(C)c1cc(N2CCC[C@](C)(C(=O)NCC3CC3)C2)ncn1
InChIInChI=1S/C17H27N5O/c1-17(16(23)18-10-13-5-6-13)7-4-8-22(11-17)15-9-14(21(2)3)19-12-20-15/h9,12-13H,4-8,10-11H2,1-3H3,(H,18,23)/t17-/m0/s1
InChIKeyOTONGMMMESPQAP-KRWDZBQOSA-N
MW317.44 g/mol
LogP1.68
Rot. Bonds5

About (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide (PubChem CID 124989326) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
PubChem CID124989326
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
SMILESCN(C)c1cc(N2CCC[C@](C)(C(=O)NCC3CC3)C2)ncn1
InChIInChI=1S/C17H27N5O/c1-17(16(23)18-10-13-5-6-13)7-4-8-22(11-17)15-9-14(21(2)3)19-12-20-15/h9,12-13H,4-8,10-11H2,1-3H3,(H,18,23)/t17-/m0/s1
InChIKeyOTONGMMMESPQAP-KRWDZBQOSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 110111092
(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 124990602
1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 110100201
(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 125007387
3-methyl-1-(6-methylpyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 110100192
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
2-[4-[[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129454102
N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 95107896
N-[[(3S,3aR,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-cyclopropylacetamide
CID 124818969
6-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 131652378
6-[(4R)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 124813844
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide (CID 124989326) is (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide is CN(C)c1cc(N2CCC[C@](C)(C(=O)NCC3CC3)C2)ncn1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide?
The InChIKey is OTONGMMMESPQAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-17(16(23)18-10-13-5-6-13)7-4-8-22(11-17)15-9-14(21(2)3)19-12-20-15/h9,12-13H,4-8,10-11H2,1-3H3,(H,18,23)/t17-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 124989326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).