2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile

C17H18N4 — CID 166365328

IUPAC2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2(c3ccccc3)CCC2)ccnc1N
InChIInChI=1S/C17H18N4/c18-11-14-15(7-10-20-16(14)19)21-12-17(8-4-9-17)13-5-2-1-3-6-13/h1-3,5-7,10H,4,8-9,12H2,(H3,19,20,21)
InChIKeyRPBYQMZMOICXPG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile

2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile (PubChem CID 166365328) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile
PubChem CID166365328
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2(c3ccccc3)CCC2)ccnc1N
InChIInChI=1S/C17H18N4/c18-11-14-15(7-10-20-16(14)19)21-12-17(8-4-9-17)13-5-2-1-3-6-13/h1-3,5-7,10H,4,8-9,12H2,(H3,19,20,21)
InChIKeyRPBYQMZMOICXPG-UHFFFAOYSA-N
XLogP3.07
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 166365177
2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile
CID 166291813
5-nitro-2-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 60501528
5-[[1-(3-chlorophenyl)cyclobutyl]methylamino]pyrimidine-2-carbonitrile
CID 170580287
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
6-chloro-4-N-[(1-phenylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 55570136
2-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
2-bromo-6-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 114884527
2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 115360414
2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide
CID 86804860
3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 89126639
2-bromo-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114881316

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile (CID 166365328) is 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile is N#Cc1c(NCC2(c3ccccc3)CCC2)ccnc1N.
What is the InChIKey of 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is RPBYQMZMOICXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-11-14-15(7-10-20-16(14)19)21-12-17(8-4-9-17)13-5-2-1-3-6-13/h1-3,5-7,10H,4,8-9,12H2,(H3,19,20,21).
What are the key properties of 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile?
2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 166365328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).