N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

C16H23N5 — CID 125020310

IUPACN,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
SMILESCNc1cc(C)nc([C@H]2CCN(Cc3ccn(C)n3)C2)c1
InChIInChI=1S/C16H23N5/c1-12-8-15(17-2)9-16(18-12)13-4-7-21(10-13)11-14-5-6-20(3)19-14/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyYBVXOPFHYGEFQW-ZDUSSCGKSA-N
MW285.40 g/mol
LogP2.15
Rot. Bonds4

About N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine (PubChem CID 125020310) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
PubChem CID125020310
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
SMILESCNc1cc(C)nc([C@H]2CCN(Cc3ccn(C)n3)C2)c1
InChIInChI=1S/C16H23N5/c1-12-8-15(17-2)9-16(18-12)13-4-7-21(10-13)11-14-5-6-20(3)19-14/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyYBVXOPFHYGEFQW-ZDUSSCGKSA-N
XLogP2.15
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-6-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020309
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110105906
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
2-[2-[[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125003897
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
2-cyclopentyl-N,6-dimethylpyridin-4-amine;dihydrochloride
CID 172850229
6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82866010
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020442

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The IUPAC name of N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine (CID 125020310) is N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine is CNc1cc(C)nc([C@H]2CCN(Cc3ccn(C)n3)C2)c1.
What is the InChIKey of N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The InChIKey is YBVXOPFHYGEFQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-8-15(17-2)9-16(18-12)13-4-7-21(10-13)11-14-5-6-20(3)19-14/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine has a molecular weight of 285.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 125020310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).