N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide

C16H26N4O — CID 131963182

IUPACN,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
SMILESCC(CC(=O)N(C)C)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C16H26N4O/c1-13(10-16(21)19(2)3)18-12-14-6-7-17-15(11-14)20-8-4-5-9-20/h6-7,11,13,18H,4-5,8-10,12H2,1-3H3
InChIKeyHXOWZEMZEBMXQP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.64
Rot. Bonds6

About N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide

N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide (PubChem CID 131963182) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
PubChem CID131963182
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
SMILESCC(CC(=O)N(C)C)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C16H26N4O/c1-13(10-16(21)19(2)3)18-12-14-6-7-17-15(11-14)20-8-4-5-9-20/h6-7,11,13,18H,4-5,8-10,12H2,1-3H3
InChIKeyHXOWZEMZEBMXQP-UHFFFAOYSA-N
XLogP1.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 97187053
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
(1S)-1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 100737963
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119036262
1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119040414
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
1-(4-phenylbutan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 42954515

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide?
The IUPAC name of N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide (CID 131963182) is N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide is CC(CC(=O)N(C)C)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide?
The InChIKey is HXOWZEMZEBMXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(10-16(21)19(2)3)18-12-14-6-7-17-15(11-14)20-8-4-5-9-20/h6-7,11,13,18H,4-5,8-10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide?
N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide has a molecular weight of 290.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide is sourced from PubChem (CID 131963182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).