2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide

C17H13N5O — CID 10425064

IUPAC2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c3nc(N)nc(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H13N5O/c18-15(23)10-6-7-12-11(8-10)13-14(9-4-2-1-3-5-9)21-17(19)22-16(13)20-12/h1-8H,(H2,18,23)(H3,19,20,21,22)
InChIKeyRFNVQCANYGFSHV-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide

2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide (PubChem CID 10425064) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
PubChem CID10425064
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
SMILESNC(=O)c1ccc2[nH]c3nc(N)nc(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H13N5O/c18-15(23)10-6-7-12-11(8-10)13-14(9-4-2-1-3-5-9)21-17(19)22-16(13)20-12/h1-8H,(H2,18,23)(H3,19,20,21,22)
InChIKeyRFNVQCANYGFSHV-UHFFFAOYSA-N
XLogP2.46
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
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CID 25218593
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
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CID 5047828
2-[(2-{[4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218594
2-[(2-{[4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)-2-(trifluoromethyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218596
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CID 118708722
2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 162393548
4-methyl-1-oxo-N-pyrimidin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143519
N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
CID 155289261
4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide?
The IUPAC name of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide (CID 10425064) is 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide is NC(=O)c1ccc2[nH]c3nc(N)nc(-c4ccccc4)c3c2c1.
What is the InChIKey of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide?
The InChIKey is RFNVQCANYGFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-15(23)10-6-7-12-11(8-10)13-14(9-4-2-1-3-5-9)21-17(19)22-16(13)20-12/h1-8H,(H2,18,23)(H3,19,20,21,22).
What are the key properties of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide?
2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide is sourced from PubChem (CID 10425064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).