N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine

C19H19N5 — CID 46955768

IUPACN-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESc1cncc(CN(Cc2ccnc(-c3cccnc3)n2)C2CC2)c1
InChIInChI=1S/C19H19N5/c1-3-15(11-20-8-1)13-24(18-5-6-18)14-17-7-10-22-19(23-17)16-4-2-9-21-12-16/h1-4,7-12,18H,5-6,13-14H2
InChIKeyDMVIEYZWSDUMHY-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.10
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine

N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 46955768) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID46955768
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC NameN-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
SMILESc1cncc(CN(Cc2ccnc(-c3cccnc3)n2)C2CC2)c1
InChIInChI=1S/C19H19N5/c1-3-15(11-20-8-1)13-24(18-5-6-18)14-17-7-10-22-19(23-17)16-4-2-9-21-12-16/h1-4,7-12,18H,5-6,13-14H2
InChIKeyDMVIEYZWSDUMHY-UHFFFAOYSA-N
XLogP3.10
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162790413
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
CID 111457038
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 56896410
N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
CID 112801651
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine (CID 46955768) is N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine is c1cncc(CN(Cc2ccnc(-c3cccnc3)n2)C2CC2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is DMVIEYZWSDUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-3-15(11-20-8-1)13-24(18-5-6-18)14-17-7-10-22-19(23-17)16-4-2-9-21-12-16/h1-4,7-12,18H,5-6,13-14H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine?
N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 317.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 46955768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).