N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide

C17H15N3O3 — CID 17460362

IUPACN-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1
InChIInChI=1S/C17H15N3O3/c1-20(2)16-8-7-11(10-18-16)19-17(22)15-9-13(21)12-5-3-4-6-14(12)23-15/h3-10H,1-2H3,(H,19,22)
InChIKeyGNDCPTZQUWGKFO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.51
Rot. Bonds3

About N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide

N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide (PubChem CID 17460362) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
PubChem CID17460362
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1
InChIInChI=1S/C17H15N3O3/c1-20(2)16-8-7-11(10-18-16)19-17(22)15-9-13(21)12-5-3-4-6-14(12)23-15/h3-10H,1-2H3,(H,19,22)
InChIKeyGNDCPTZQUWGKFO-UHFFFAOYSA-N
XLogP2.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
CID 102989525
4-oxo-N-[4-(tetrazol-1-yl)phenyl]chromene-2-carboxamide
CID 9111704
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide (CID 17460362) is N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide?
The InChIKey is GNDCPTZQUWGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20(2)16-8-7-11(10-18-16)19-17(22)15-9-13(21)12-5-3-4-6-14(12)23-15/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide?
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17460362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).