N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide

C18H20N4O2 — CID 11723763

IUPACN-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide
SMILESC=CCCC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C18H20N4O2/c1-2-3-8-17(23)21-12-14-10-9-13(11-20-14)18(24)22-16-7-5-4-6-15(16)19/h2,4-7,9-11H,1,3,8,12,19H2,(H,21,23)(H,22,24)
InChIKeyCIZQHXDPVPYHMH-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.50
Rot. Bonds7

About N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide (PubChem CID 11723763) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide
PubChem CID11723763
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide
SMILESC=CCCC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C18H20N4O2/c1-2-3-8-17(23)21-12-14-10-9-13(11-20-14)18(24)22-16-7-5-4-6-15(16)19/h2,4-7,9-11H,1,3,8,12,19H2,(H,21,23)(H,22,24)
InChIKeyCIZQHXDPVPYHMH-UHFFFAOYSA-N
XLogP2.50
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide
CID 91021018
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide
CID 139951411
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide
CID 163408106
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide
CID 10430337
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide (CID 11723763) is N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide is C=CCCC(=O)NCc1ccc(C(=O)Nc2ccccc2N)cn1.
What is the InChIKey of N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide?
The InChIKey is CIZQHXDPVPYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-3-8-17(23)21-12-14-10-9-13(11-20-14)18(24)22-16-7-5-4-6-15(16)19/h2,4-7,9-11H,1,3,8,12,19H2,(H,21,23)(H,22,24).
What are the key properties of N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 11723763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).