N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide

C20H21N5O3 — CID 6174589

IUPACN-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1
InChIInChI=1S/C20H21N5O3/c1-3-25(4-2)15-6-5-14-11-16(18(21)26)20(28-17(14)12-15)24-23-19(27)13-7-9-22-10-8-13/h5-12H,3-4H2,1-2H3,(H2,21,26)(H,23,27)/b24-20+
InChIKeyPXJWYMYEBFOTLA-HIXSDJFHSA-N
MW379.42 g/mol
LogP2.02
Rot. Bonds6

About N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide

N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 6174589) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID6174589
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide
SMILESCCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1
InChIInChI=1S/C20H21N5O3/c1-3-25(4-2)15-6-5-14-11-16(18(21)26)20(28-17(14)12-15)24-23-19(27)13-7-9-22-10-8-13/h5-12H,3-4H2,1-2H3,(H2,21,26)(H,23,27)/b24-20+
InChIKeyPXJWYMYEBFOTLA-HIXSDJFHSA-N
XLogP2.02
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
N-[(Z)-(3-carbamoylchromen-2-ylidene)amino]pyridine-4-carboxamide
CID 5378362
N'-[(E)-(2-methyl-2H-chromen-3-yl)methylidene]pyridine-4-carbohydrazide
CID 9677865
N'-[3-(2,5-dimethylphenoxy)propanoyl]pyridine-4-carbohydrazide
CID 24980002
7-(diethylamino)-3-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one
CID 658669
N-[1-(2-oxochromen-3-yl)ethylideneamino]pyridine-4-carboxamide
CID 9616326
3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-pyridin-3-ylethyl)propanamide
CID 167146062
2-methoxy-N'-[1-(3-pyridinyl)ethylidene]benzohydrazide
CID 5342149
N'-(4-(Benzyloxy)benzylidene)isonicotinohydrazide
CID 6868906
Isonicotinoyl hydrazone of ortho-anisaldehyde
CID 242007

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide (CID 6174589) is N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide is CCN(CC)c1ccc2cc(C(N)=O)/c(=N\NC(=O)c3ccncc3)oc2c1.
What is the InChIKey of N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is PXJWYMYEBFOTLA-HIXSDJFHSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-3-25(4-2)15-6-5-14-11-16(18(21)26)20(28-17(14)12-15)24-23-19(27)13-7-9-22-10-8-13/h5-12H,3-4H2,1-2H3,(H2,21,26)(H,23,27)/b24-20+.
What are the key properties of N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide?
N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-carbamoyl-7-(diethylamino)chromen-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 6174589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).