N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C18H28N4 — CID 58227290

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC3CC4CCC3C4)c2)C1
InChIInChI=1S/C18H28N4/c1-19-16-5-7-22(12-16)17-4-6-20-18(10-17)21-11-15-9-13-2-3-14(15)8-13/h4,6,10,13-16,19H,2-3,5,7-9,11-12H2,1H3,(H,20,21)/t13?,14?,15?,16-/m1/s1
InChIKeyGKMXZHGBRJEESQ-LGGPCSOHSA-N
MW300.45 g/mol
LogP2.73
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 58227290) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID58227290
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NCC3CC4CCC3C4)c2)C1
InChIInChI=1S/C18H28N4/c1-19-16-5-7-22(12-16)17-4-6-20-18(10-17)21-11-15-9-13-2-3-14(15)8-13/h4,6,10,13-16,19H,2-3,5,7-9,11-12H2,1H3,(H,20,21)/t13?,14?,15?,16-/m1/s1
InChIKeyGKMXZHGBRJEESQ-LGGPCSOHSA-N
XLogP2.73
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 58227290) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CN[C@@H]1CCN(c2ccnc(NCC3CC4CCC3C4)c2)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is GKMXZHGBRJEESQ-LGGPCSOHSA-N. The full InChI is InChI=1S/C18H28N4/c1-19-16-5-7-22(12-16)17-4-6-20-18(10-17)21-11-15-9-13-2-3-14(15)8-13/h4,6,10,13-16,19H,2-3,5,7-9,11-12H2,1H3,(H,20,21)/t13?,14?,15?,16-/m1/s1.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 58227290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).