N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide

C18H17F3N6O — CID 147826390

IUPACN-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1ccc(/N=C(\C=C(N)C(F)(F)F)C2CC2)nc1
InChIInChI=1S/C18H17F3N6O/c1-10-13(8-23-9-25-10)17(28)26-12-4-5-16(24-7-12)27-14(11-2-3-11)6-15(22)18(19,20)21/h4-9,11H,2-3,22H2,1H3,(H,26,28)/b15-6?,27-14+
InChIKeyWVYJUTCTTYJFNP-VVWHVEGSSA-N
MW390.37 g/mol
LogP3.32
Rot. Bonds5

About N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide

N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 147826390) has the molecular formula C18H17F3N6O and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide
PubChem CID147826390
Molecular FormulaC18H17F3N6O
Molecular Weight390.37 g/mol
Exact Mass390.14
IUPAC NameN-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1ccc(/N=C(\C=C(N)C(F)(F)F)C2CC2)nc1
InChIInChI=1S/C18H17F3N6O/c1-10-13(8-23-9-25-10)17(28)26-12-4-5-16(24-7-12)27-14(11-2-3-11)6-15(22)18(19,20)21/h4-9,11H,2-3,22H2,1H3,(H,26,28)/b15-6?,27-14+
InChIKeyWVYJUTCTTYJFNP-VVWHVEGSSA-N
XLogP3.32
TPSA106.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110863958
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
CID 131912526
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
1-[(4-methylpyrimidine-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530812
(3R,6S)-N-cyclopropyl-6-[(4-methylpyrimidine-5-carbonyl)amino]-1-(oxan-4-yl)azepane-3-carboxamide
CID 171906568

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide (CID 147826390) is N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)Nc1ccc(/N=C(\C=C(N)C(F)(F)F)C2CC2)nc1.
What is the InChIKey of N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is WVYJUTCTTYJFNP-VVWHVEGSSA-N. The full InChI is InChI=1S/C18H17F3N6O/c1-10-13(8-23-9-25-10)17(28)26-12-4-5-16(24-7-12)27-14(11-2-3-11)6-15(22)18(19,20)21/h4-9,11H,2-3,22H2,1H3,(H,26,28)/b15-6?,27-14+.
What are the key properties of N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide?
N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene)amino]-3-pyridinyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 147826390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).