N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide

C18H18N4O — CID 75444475

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide
SMILESCc1ccnc(C(NC(=O)c2cc3ccccn3c2)C2CC2)n1
InChIInChI=1S/C18H18N4O/c1-12-7-8-19-17(20-12)16(13-5-6-13)21-18(23)14-10-15-4-2-3-9-22(15)11-14/h2-4,7-11,13,16H,5-6H2,1H3,(H,21,23)
InChIKeyDHBSDWPWKOWZRV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.92
Rot. Bonds4

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide (PubChem CID 75444475) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide
PubChem CID75444475
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide
SMILESCc1ccnc(C(NC(=O)c2cc3ccccn3c2)C2CC2)n1
InChIInChI=1S/C18H18N4O/c1-12-7-8-19-17(20-12)16(13-5-6-13)21-18(23)14-10-15-4-2-3-9-22(15)11-14/h2-4,7-11,13,16H,5-6H2,1H3,(H,21,23)
InChIKeyDHBSDWPWKOWZRV-UHFFFAOYSA-N
XLogP2.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide (CID 75444475) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide is Cc1ccnc(C(NC(=O)c2cc3ccccn3c2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide?
The InChIKey is DHBSDWPWKOWZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-7-8-19-17(20-12)16(13-5-6-13)21-18(23)14-10-15-4-2-3-9-22(15)11-14/h2-4,7-11,13,16H,5-6H2,1H3,(H,21,23).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]indolizine-2-carboxamide is sourced from PubChem (CID 75444475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).