N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine

C18H18N4 — CID 58757229

IUPACN-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine
SMILESc1cncc(NCc2ccc(CNc3cccnc3)cc2)c1
InChIInChI=1S/C18H18N4/c1-3-17(13-19-9-1)21-11-15-5-7-16(8-6-15)12-22-18-4-2-10-20-14-18/h1-10,13-14,21-22H,11-12H2
InChIKeyXPMCTUQSINXPSH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.70
Rot. Bonds6

About N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine

N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine (PubChem CID 58757229) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine
PubChem CID58757229
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine
SMILESc1cncc(NCc2ccc(CNc3cccnc3)cc2)c1
InChIInChI=1S/C18H18N4/c1-3-17(13-19-9-1)21-11-15-5-7-16(8-6-15)12-22-18-4-2-10-20-14-18/h1-10,13-14,21-22H,11-12H2
InChIKeyXPMCTUQSINXPSH-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine?
The IUPAC name of N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine (CID 58757229) is N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine is c1cncc(NCc2ccc(CNc3cccnc3)cc2)c1.
What is the InChIKey of N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine?
The InChIKey is XPMCTUQSINXPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-17(13-19-9-1)21-11-15-5-7-16(8-6-15)12-22-18-4-2-10-20-14-18/h1-10,13-14,21-22H,11-12H2.
What are the key properties of N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine?
N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine has a molecular weight of 290.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(pyridin-3-ylamino)methyl]phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 58757229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).