(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C16H25N5O — CID 95204087

IUPAC(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(c2cc(C3CCNCC3)nc(C)n2)C1
InChIInChI=1S/C16H25N5O/c1-11-19-14(12-3-6-18-7-4-12)9-15(20-11)21-8-5-13(10-21)16(22)17-2/h9,12-13,18H,3-8,10H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyMPLNAZJGFQZMNJ-ZDUSSCGKSA-N
MW303.41 g/mol
LogP0.82
Rot. Bonds3

About (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide

(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 95204087) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID95204087
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(c2cc(C3CCNCC3)nc(C)n2)C1
InChIInChI=1S/C16H25N5O/c1-11-19-14(12-3-6-18-7-4-12)9-15(20-11)21-8-5-13(10-21)16(22)17-2/h9,12-13,18H,3-8,10H2,1-2H3,(H,17,22)/t13-/m0/s1
InChIKeyMPLNAZJGFQZMNJ-ZDUSSCGKSA-N
XLogP0.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
1-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidin-4-yl]azepane
CID 56704649
N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 172880710
5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
CID 171687283
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
(3S)-N-methyl-1-(2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)pyrrolidine-3-carboxamide
CID 95896366
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
4-imidazol-1-yl-2-methyl-6-piperidin-4-ylpyrimidine;dihydrochloride
CID 171687273

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 95204087) is (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(c2cc(C3CCNCC3)nc(C)n2)C1.
What is the InChIKey of (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is MPLNAZJGFQZMNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-19-14(12-3-6-18-7-4-12)9-15(20-11)21-8-5-13(10-21)16(22)17-2/h9,12-13,18H,3-8,10H2,1-2H3,(H,17,22)/t13-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
(3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95204087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).