N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine

C18H18N4 — CID 11565518

IUPACN-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine
SMILESc1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1
InChIInChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)
InChIKeyKBVFRXIGQQRMEF-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.70
Rot. Bonds6

About N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine

N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine (PubChem CID 11565518) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine
PubChem CID11565518
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine
SMILESc1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1
InChIInChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)
InChIKeyKBVFRXIGQQRMEF-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-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine (CID 11565518) is N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine is c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1.
What is the InChIKey of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine?
The InChIKey is KBVFRXIGQQRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22).
What are the key properties of N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine?
N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-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-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 11565518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).