N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide

C18H18N4O2 — CID 119069823

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cn1
InChIInChI=1S/C18H18N4O2/c1-24-18-20-9-14(10-21-18)17(23)22(15-3-4-15)11-12-2-5-16-13(8-12)6-7-19-16/h2,5-10,15,19H,3-4,11H2,1H3
InChIKeyJOIIIFLVPSBADZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.77
Rot. Bonds5

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide (PubChem CID 119069823) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
PubChem CID119069823
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cn1
InChIInChI=1S/C18H18N4O2/c1-24-18-20-9-14(10-21-18)17(23)22(15-3-4-15)11-12-2-5-16-13(8-12)6-7-19-16/h2,5-10,15,19H,3-4,11H2,1H3
InChIKeyJOIIIFLVPSBADZ-UHFFFAOYSA-N
XLogP2.77
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide (CID 119069823) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide?
The InChIKey is JOIIIFLVPSBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-18-20-9-14(10-21-18)17(23)22(15-3-4-15)11-12-2-5-16-13(8-12)6-7-19-16/h2,5-10,15,19H,3-4,11H2,1H3.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 119069823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).