(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide

C16H25N5O2 — CID 97098486

IUPAC(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(N(C)C)c2)C1
InChIInChI=1S/C16H25N5O2/c1-12(22)19-14-5-4-8-21(11-14)16(23)18-10-13-6-7-17-15(9-13)20(2)3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,23)(H,19,22)/t14-/m1/s1
InChIKeyGYRJFXQRKXDVCO-CQSZACIVSA-N
MW319.41 g/mol
LogP0.96
Rot. Bonds4

About (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide

(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 97098486) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
PubChem CID97098486
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(N(C)C)c2)C1
InChIInChI=1S/C16H25N5O2/c1-12(22)19-14-5-4-8-21(11-14)16(23)18-10-13-6-7-17-15(9-13)20(2)3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,23)(H,19,22)/t14-/m1/s1
InChIKeyGYRJFXQRKXDVCO-CQSZACIVSA-N
XLogP0.96
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 51084874
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 51084434
(2S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94096719
3-acetamido-N-[[3-(2-methylbutanoylamino)phenyl]methyl]piperidine-1-carboxamide
CID 87008109
1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 110269115
(3S,4S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963403
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 55909963
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]acetamide
CID 97311356
tert-butyl 3-[[N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109466665
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide (CID 97098486) is (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide is CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccnc(N(C)C)c2)C1.
What is the InChIKey of (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide?
The InChIKey is GYRJFXQRKXDVCO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(22)19-14-5-4-8-21(11-14)16(23)18-10-13-6-7-17-15(9-13)20(2)3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,18,23)(H,19,22)/t14-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide?
(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97098486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).