4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine

C14H24N4 — CID 44547126

IUPAC4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
SMILESCN[C@H]1CCN(c2ccnc(NCC(C)C)c2)C1
InChIInChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyUAOJUVSUWLARMX-LBPRGKRZSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds5

About 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine

4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine (PubChem CID 44547126) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
PubChem CID44547126
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
SMILESCN[C@H]1CCN(c2ccnc(NCC(C)C)c2)C1
InChIInChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyUAOJUVSUWLARMX-LBPRGKRZSA-N
XLogP1.95
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pinacidil
CID 55329
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
1-(2-Pyridyl)piperazine
CID 94459
Pinacidil anhydrous
CID 4826
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
(S)-Pinacidil
CID 6603960
2,4-Diaminopyridine
CID 68036
N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
CID 43344
3-Pyridyl pinacidil
CID 43347
Guanidine, 2-cyano-1-neopentyl-3-(3-pyridyl)-
CID 3042790
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(Pyridin-2-YL)-1,4-diazepane
CID 2772402

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine (CID 44547126) is 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine is CN[C@H]1CCN(c2ccnc(NCC(C)C)c2)C1.
What is the InChIKey of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
The InChIKey is UAOJUVSUWLARMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine?
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 44547126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).