(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide

C17H23N5O2 — CID 99581240

IUPAC(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCCN2C(=O)Nc2cnc(N(C)C)nc2)o1
InChIInChI=1S/C17H23N5O2/c1-12-7-8-15(24-12)14-6-4-5-9-22(14)17(23)20-13-10-18-16(19-11-13)21(2)3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyCOPVQMBDYWHMCW-AWEZNQCLSA-N
MW329.40 g/mol
LogP3.20
Rot. Bonds3

About (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide

(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide (PubChem CID 99581240) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
PubChem CID99581240
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCCN2C(=O)Nc2cnc(N(C)C)nc2)o1
InChIInChI=1S/C17H23N5O2/c1-12-7-8-15(24-12)14-6-4-5-9-22(14)17(23)20-13-10-18-16(19-11-13)21(2)3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyCOPVQMBDYWHMCW-AWEZNQCLSA-N
XLogP3.20
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023503
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389
(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508
N-[2-(dimethylamino)pyrimidin-5-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71910936
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007974
2-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007973
(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 95773818
[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
CID 99619252
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 139005572
4-methyl-2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71989175

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide (CID 99581240) is (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide is Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cnc(N(C)C)nc2)o1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
The InChIKey is COPVQMBDYWHMCW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-7-8-15(24-12)14-6-4-5-9-22(14)17(23)20-13-10-18-16(19-11-13)21(2)3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide?
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99581240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).