(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine

C18H27N5 — CID 125000459

IUPAC(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1nn(C)c(C)c1CN(C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H27N5/c1-14-17(15(2)22(4)20-14)13-21(3)16-8-7-11-23(12-16)18-9-5-6-10-19-18/h5-6,9-10,16H,7-8,11-13H2,1-4H3/t16-/m0/s1
InChIKeyRVWGTTGYQFKJNC-INIZCTEOSA-N
MW313.45 g/mol
LogP2.53
Rot. Bonds4

About (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine

(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 125000459) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID125000459
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1nn(C)c(C)c1CN(C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H27N5/c1-14-17(15(2)22(4)20-14)13-21(3)16-8-7-11-23(12-16)18-9-5-6-10-19-18/h5-6,9-10,16H,7-8,11-13H2,1-4H3/t16-/m0/s1
InChIKeyRVWGTTGYQFKJNC-INIZCTEOSA-N
XLogP2.53
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine with MolForge

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 110107200
(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
CID 124975782
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 124997613
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
1-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 124612268
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 56778134
3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124985299

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine (CID 125000459) is (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine is Cc1nn(C)c(C)c1CN(C)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is RVWGTTGYQFKJNC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5/c1-14-17(15(2)22(4)20-14)13-21(3)16-8-7-11-23(12-16)18-9-5-6-10-19-18/h5-6,9-10,16H,7-8,11-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine?
(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 313.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 125000459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).