6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile

C15H15N5 — CID 156830408

IUPAC6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CNC(c2ncccn2)C2CC2)nc1
InChIInChI=1S/C15H15N5/c16-8-11-2-5-13(19-9-11)10-20-14(12-3-4-12)15-17-6-1-7-18-15/h1-2,5-7,9,12,14,20H,3-4,10H2
InChIKeyHHPQPPPCDHGDNG-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.98
Rot. Bonds5

About 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile

6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile (PubChem CID 156830408) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile
PubChem CID156830408
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CNC(c2ncccn2)C2CC2)nc1
InChIInChI=1S/C15H15N5/c16-8-11-2-5-13(19-9-11)10-20-14(12-3-4-12)15-17-6-1-7-18-15/h1-2,5-7,9,12,14,20H,3-4,10H2
InChIKeyHHPQPPPCDHGDNG-UHFFFAOYSA-N
XLogP1.98
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 80707743
2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide
CID 169111184
6-(chloromethyl)pyridine-3-carbonitrile
CID 14980535
(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine
CID 125142267
6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
CID 58495606
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847899
6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile
CID 146093163
(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 175811445
6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile
CID 156831035
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
CID 138042647
6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
CID 126955007

Frequently Asked Questions

What is the IUPAC name of 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile (CID 156830408) is 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile is N#Cc1ccc(CNC(c2ncccn2)C2CC2)nc1.
What is the InChIKey of 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile?
The InChIKey is HHPQPPPCDHGDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-8-11-2-5-13(19-9-11)10-20-14(12-3-4-12)15-17-6-1-7-18-15/h1-2,5-7,9,12,14,20H,3-4,10H2.
What are the key properties of 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile?
6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 156830408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).