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

C19H19N5O — CID 142913787

IUPAC2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane
SMILESCC.NC(=O)c1ccc2[nH]c3nc(N)nc(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H13N5O.C2H6/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;1-2/h1-8H,(H2,18,23)(H3,19,20,21,22);1-2H3
InChIKeyQDUVZWJSAQHGQQ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.49
Rot. Bonds2

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

2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane (PubChem CID 142913787) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane.

Molecular Properties

Compound Name2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane
PubChem CID142913787
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane
SMILESCC.NC(=O)c1ccc2[nH]c3nc(N)nc(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H13N5O.C2H6/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;1-2/h1-8H,(H2,18,23)(H3,19,20,21,22);1-2H3
InChIKeyQDUVZWJSAQHGQQ-UHFFFAOYSA-N
XLogP3.49
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo(2,3-b)pyridin-2-yl)-1H-indole-5-carboxamide
CID 9968957
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69183822
4-(7H-purin-6-ylamino)benzamide
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-{[2-fluoro-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218595
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
2,4-Diamino-6-(3-Formylphenyl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 118708722
2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 162393548

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane?
The IUPAC name of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane (CID 142913787) is 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane.
What is the SMILES notation for 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane?
The canonical SMILES for 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane is CC.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;ethane?
The InChIKey is QDUVZWJSAQHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O.C2H6/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;1-2/h1-8H,(H2,18,23)(H3,19,20,21,22);1-2H3.
What are the key properties of 2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane?
2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide;ethane has a molecular weight of 333.40 g/mol, XLogP of 3.49, 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;ethane is sourced from PubChem (CID 142913787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).