2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide

C17H18N6O — CID 24900804

IUPAC2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c3ccccc3n(CC3=NCCCN3)c2nc1N
InChIInChI=1S/C17H18N6O/c18-15-12(16(19)24)8-11-10-4-1-2-5-13(10)23(17(11)22-15)9-14-20-6-3-7-21-14/h1-2,4-5,8H,3,6-7,9H2,(H2,18,22)(H2,19,24)(H,20,21)
InChIKeyWASKZANMKDWVEX-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide

2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 24900804) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide
PubChem CID24900804
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c3ccccc3n(CC3=NCCCN3)c2nc1N
InChIInChI=1S/C17H18N6O/c18-15-12(16(19)24)8-11-10-4-1-2-5-13(10)23(17(11)22-15)9-14-20-6-3-7-21-14/h1-2,4-5,8H,3,6-7,9H2,(H2,18,22)(H2,19,24)(H,20,21)
InChIKeyWASKZANMKDWVEX-UHFFFAOYSA-N
XLogP1.26
TPSA111.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide (CID 24900804) is 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide is NC(=O)c1cc2c3ccccc3n(CC3=NCCCN3)c2nc1N.
What is the InChIKey of 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is WASKZANMKDWVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-15-12(16(19)24)8-11-10-4-1-2-5-13(10)23(17(11)22-15)9-14-20-6-3-7-21-14/h1-2,4-5,8H,3,6-7,9H2,(H2,18,22)(H2,19,24)(H,20,21).
What are the key properties of 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide?
2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 24900804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).