N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide

C16H14N6O2 — CID 142877734

IUPACN-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide
SMILESCCNc1nc(NC(=O)c2cccnc2)nc2cc(N=O)ccc12
InChIInChI=1S/C16H14N6O2/c1-2-18-14-12-6-5-11(22-24)8-13(12)19-16(20-14)21-15(23)10-4-3-7-17-9-10/h3-9H,2H2,1H3,(H2,18,19,20,21,23)
InChIKeyMSVNORVGJOVLJT-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.11
Rot. Bonds5

About N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide

N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide (PubChem CID 142877734) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide
PubChem CID142877734
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide
SMILESCCNc1nc(NC(=O)c2cccnc2)nc2cc(N=O)ccc12
InChIInChI=1S/C16H14N6O2/c1-2-18-14-12-6-5-11(22-24)8-13(12)19-16(20-14)21-15(23)10-4-3-7-17-9-10/h3-9H,2H2,1H3,(H2,18,19,20,21,23)
InChIKeyMSVNORVGJOVLJT-UHFFFAOYSA-N
XLogP3.11
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877600
2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide
CID 71041769
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
N-(1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70617129
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 1188159
N-(4-amino-2-methylquinolin-6-yl)pyridine-3-carboxamide
CID 73054453
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[4-(3-chloronaphthalen-2-yl)-6-(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide
CID 23318691
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide (CID 142877734) is N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide is CCNc1nc(NC(=O)c2cccnc2)nc2cc(N=O)ccc12.
What is the InChIKey of N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide?
The InChIKey is MSVNORVGJOVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-2-18-14-12-6-5-11(22-24)8-13(12)19-16(20-14)21-15(23)10-4-3-7-17-9-10/h3-9H,2H2,1H3,(H2,18,19,20,21,23).
What are the key properties of N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide?
N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142877734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).