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

C17H25N5 — CID 125008778

IUPACN,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
SMILESCN(C)c1cc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ccn1
InChIInChI=1S/C17H25N5/c1-20(2)17-9-15(6-7-18-17)16-5-4-8-22(13-16)12-14-10-19-21(3)11-14/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3/t16-/m1/s1
InChIKeyUXOOSTUIZGVYKV-MRXNPFEDSA-N
MW299.42 g/mol
LogP2.26
Rot. Bonds4

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

N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine (PubChem CID 125008778) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
PubChem CID125008778
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
SMILESCN(C)c1cc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ccn1
InChIInChI=1S/C17H25N5/c1-20(2)17-9-15(6-7-18-17)16-5-4-8-22(13-16)12-14-10-19-21(3)11-14/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3/t16-/m1/s1
InChIKeyUXOOSTUIZGVYKV-MRXNPFEDSA-N
XLogP2.26
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124996283
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201982
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
N,N-dimethyl-4-(1-pyridin-4-ylpiperidin-3-yl)pyridin-2-amine
CID 110269030
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110105853
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
5-(3-chlorophenyl)-N,N-dimethyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 92617455
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone
CID 95829584

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine (CID 125008778) is N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine is CN(C)c1cc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ccn1.
What is the InChIKey of N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine?
The InChIKey is UXOOSTUIZGVYKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N5/c1-20(2)17-9-15(6-7-18-17)16-5-4-8-22(13-16)12-14-10-19-21(3)11-14/h6-7,9-11,16H,4-5,8,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine?
N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 125008778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).