N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide

C19H19N5O3 — CID 6996550

IUPACN-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)/C(=C/c1cccnc1)NC(=O)c1ccco1
InChIInChI=1S/C19H19N5O3/c25-18(22-7-3-9-24-10-8-21-14-24)16(12-15-4-1-6-20-13-15)23-19(26)17-5-2-11-27-17/h1-2,4-6,8,10-14H,3,7,9H2,(H,22,25)(H,23,26)/b16-12-
InChIKeyMULQKDORQADLPS-VBKFSLOCSA-N
MW365.39 g/mol
LogP1.85
Rot. Bonds8

About N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 6996550) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID6996550
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)/C(=C/c1cccnc1)NC(=O)c1ccco1
InChIInChI=1S/C19H19N5O3/c25-18(22-7-3-9-24-10-8-21-14-24)16(12-15-4-1-6-20-13-15)23-19(26)17-5-2-11-27-17/h1-2,4-6,8,10-14H,3,7,9H2,(H,22,25)(H,23,26)/b16-12-
InChIKeyMULQKDORQADLPS-VBKFSLOCSA-N
XLogP1.85
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide (CID 6996550) is N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide is O=C(NCCCn1ccnc1)/C(=C/c1cccnc1)NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is MULQKDORQADLPS-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-18(22-7-3-9-24-10-8-21-14-24)16(12-15-4-1-6-20-13-15)23-19(26)17-5-2-11-27-17/h1-2,4-6,8,10-14H,3,7,9H2,(H,22,25)(H,23,26)/b16-12-.
What are the key properties of N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 6996550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).