trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C14H19N3O3 — CID 94199881

IUPACtrans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ncccc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C14H19N3O3/c1-9-8-10(9)13(19)15-7-5-12(18)17-11-4-3-6-16-14(11)20-2/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,19)(H,17,18)/t9-,10-/m0/s1
InChIKeyRJAOMTDEYXGGGU-UWVGGRQHSA-N
MW277.32 g/mol
LogP1.19
Rot. Bonds6

About trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94199881) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94199881
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nametrans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ncccc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C14H19N3O3/c1-9-8-10(9)13(19)15-7-5-12(18)17-11-4-3-6-16-14(11)20-2/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,19)(H,17,18)/t9-,10-/m0/s1
InChIKeyRJAOMTDEYXGGGU-UWVGGRQHSA-N
XLogP1.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
cis-(1R,2S)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015559
trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015553
7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
CID 43708890
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
2-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 110204770
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
CID 51729582
2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
CID 55669259
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38741503
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94199881) is trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1ncccc1NC(=O)CCNC(=O)[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is RJAOMTDEYXGGGU-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-8-10(9)13(19)15-7-5-12(18)17-11-4-3-6-16-14(11)20-2/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,19)(H,17,18)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94199881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).