2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide

C23H24N4O — CID 44530425

IUPAC2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2cccnc2)cnc1NCC1CC1
InChIInChI=1S/C23H24N4O/c28-23(25-12-10-17-5-2-1-3-6-17)21-13-20(19-7-4-11-24-15-19)16-27-22(21)26-14-18-8-9-18/h1-7,11,13,15-16,18H,8-10,12,14H2,(H,25,28)(H,26,27)
InChIKeyBRZAJTXRBIYUBT-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.94
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide

2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 44530425) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide
PubChem CID44530425
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2cccnc2)cnc1NCC1CC1
InChIInChI=1S/C23H24N4O/c28-23(25-12-10-17-5-2-1-3-6-17)21-13-20(19-7-4-11-24-15-19)16-27-22(21)26-14-18-8-9-18/h1-7,11,13,15-16,18H,8-10,12,14H2,(H,25,28)(H,26,27)
InChIKeyBRZAJTXRBIYUBT-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide (CID 44530425) is 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cc(-c2cccnc2)cnc1NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is BRZAJTXRBIYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(25-12-10-17-5-2-1-3-6-17)21-13-20(19-7-4-11-24-15-19)16-27-22(21)26-14-18-8-9-18/h1-7,11,13,15-16,18H,8-10,12,14H2,(H,25,28)(H,26,27).
What are the key properties of 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide?
2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(2-phenylethyl)-5-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 44530425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).