N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine

C21H23N3 — CID 19960123

IUPACN-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine
SMILESCNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1
InChIInChI=1S/C21H23N3/c1-22-21-11-10-18(17-23-21)7-5-6-14-24-15-12-20(13-16-24)19-8-3-2-4-9-19/h2-4,8-12,17H,6,13-16H2,1H3,(H,22,23)
InChIKeyBYSKXPNBRZMPBR-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.65
Rot. Bonds4

About N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine

N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine (PubChem CID 19960123) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine
PubChem CID19960123
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine
SMILESCNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1
InChIInChI=1S/C21H23N3/c1-22-21-11-10-18(17-23-21)7-5-6-14-24-15-12-20(13-16-24)19-8-3-2-4-9-19/h2-4,8-12,17H,6,13-16H2,1H3,(H,22,23)
InChIKeyBYSKXPNBRZMPBR-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]aniline
CID 18428010
6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine
CID 67550073
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15942778
5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 14839517
1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride
CID 22097364
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
3-[5-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)pent-1-ynyl]pyridine
CID 19960127
2-methyl-2-methylsulfonyl-4-[4-[4-(5-methylsulfonyloxypent-1-ynyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butanoic acid
CID 134362349
4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
CID 70063002
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine (CID 19960123) is N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine is CNc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
The InChIKey is BYSKXPNBRZMPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-22-21-11-10-18(17-23-21)7-5-6-14-24-15-12-20(13-16-24)19-8-3-2-4-9-19/h2-4,8-12,17H,6,13-16H2,1H3,(H,22,23).
What are the key properties of N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine?
N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine has a molecular weight of 317.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]pyridin-2-amine is sourced from PubChem (CID 19960123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).