N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide

C15H22N4O2 — CID 91944028

IUPACN,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide
SMILESCCN(CC)C(=O)CCCNC(=O)C=Cc1ccncn1
InChIInChI=1S/C15H22N4O2/c1-3-19(4-2)15(21)6-5-10-17-14(20)8-7-13-9-11-16-12-18-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyBRMQOHWUGRQOAP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.25
Rot. Bonds8

About N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide

N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide (PubChem CID 91944028) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide
PubChem CID91944028
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide
SMILESCCN(CC)C(=O)CCCNC(=O)C=Cc1ccncn1
InChIInChI=1S/C15H22N4O2/c1-3-19(4-2)15(21)6-5-10-17-14(20)8-7-13-9-11-16-12-18-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyBRMQOHWUGRQOAP-UHFFFAOYSA-N
XLogP1.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide
CID 75401237
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090160
4-[3-(4-ethoxyphenyl)prop-2-enoylamino]butanoic acid
CID 74868297
(2E,4E)-N-(7-hydroxy-6-oxoheptyl)-5-pyridin-4-ylpenta-2,4-dienamide
CID 58248666
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
CID 119111442
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
N-[4-(diethylamino)-4-oxobutyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60513536
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide?
The IUPAC name of N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide (CID 91944028) is N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide.
What is the SMILES notation for N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide?
The canonical SMILES for N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide is CCN(CC)C(=O)CCCNC(=O)C=Cc1ccncn1.
What is the InChIKey of N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide?
The InChIKey is BRMQOHWUGRQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-19(4-2)15(21)6-5-10-17-14(20)8-7-13-9-11-16-12-18-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,20).
What are the key properties of N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide?
N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide has a molecular weight of 290.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-pyrimidin-4-ylprop-2-enoylamino)butanamide is sourced from PubChem (CID 91944028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).