N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide

C19H17N5O — CID 142925539

IUPACN-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2c3ncncc3n3ccccc23)c1
InChIInChI=1S/C19H17N5O/c1-23(2)14-7-5-6-13(10-14)22-19(25)17-15-8-3-4-9-24(15)16-11-20-12-21-18(16)17/h3-12H,1-2H3,(H,22,25)
InChIKeyWOEXMEZDQPFQSU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.20
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide

N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide (PubChem CID 142925539) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
PubChem CID142925539
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2c3ncncc3n3ccccc23)c1
InChIInChI=1S/C19H17N5O/c1-23(2)14-7-5-6-13(10-14)22-19(25)17-15-8-3-4-9-24(15)16-11-20-12-21-18(16)17/h3-12H,1-2H3,(H,22,25)
InChIKeyWOEXMEZDQPFQSU-UHFFFAOYSA-N
XLogP3.20
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 84577436
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
1-N-(3-fluorophenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072012
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
6-(cyclopropylamino)-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84570944

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide (CID 142925539) is N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide is CN(C)c1cccc(NC(=O)c2c3ncncc3n3ccccc23)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
The InChIKey is WOEXMEZDQPFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-23(2)14-7-5-6-13(10-14)22-19(25)17-15-8-3-4-9-24(15)16-11-20-12-21-18(16)17/h3-12H,1-2H3,(H,22,25).
What are the key properties of N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide?
N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide is sourced from PubChem (CID 142925539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).