trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide

C14H15N5O2 — CID 94388489

IUPACtrans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide
SMILESCOc1ccnc(NNC(=O)[C@H]2C[C@@H]2c2cccnc2)n1
InChIInChI=1S/C14H15N5O2/c1-21-12-4-6-16-14(17-12)19-18-13(20)11-7-10(11)9-3-2-5-15-8-9/h2-6,8,10-11H,7H2,1H3,(H,18,20)(H,16,17,19)/t10-,11+/m1/s1
InChIKeySJMRSABHXNFYEJ-MNOVXSKESA-N
MW285.31 g/mol
LogP1.13
Rot. Bonds5

About trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide

trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide (PubChem CID 94388489) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide
PubChem CID94388489
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Nametrans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide
SMILESCOc1ccnc(NNC(=O)[C@H]2C[C@@H]2c2cccnc2)n1
InChIInChI=1S/C14H15N5O2/c1-21-12-4-6-16-14(17-12)19-18-13(20)11-7-10(11)9-3-2-5-15-8-9/h2-6,8,10-11H,7H2,1H3,(H,18,20)(H,16,17,19)/t10-,11+/m1/s1
InChIKeySJMRSABHXNFYEJ-MNOVXSKESA-N
XLogP1.13
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
methyl (2S)-3-ethyl-2-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]pentanoate
CID 95782138
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
cis-(1S,2R)-N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124840237
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
cis-(1R,2S)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-2-pyridin-3-ylcyclopropane-1-carbohydrazide
CID 97007262
cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124742862
trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99630404
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
The IUPAC name of trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide (CID 94388489) is trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide.
What is the SMILES notation for trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
The canonical SMILES for trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide is COc1ccnc(NNC(=O)[C@H]2C[C@@H]2c2cccnc2)n1.
What is the InChIKey of trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
The InChIKey is SJMRSABHXNFYEJ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-12-4-6-16-14(17-12)19-18-13(20)11-7-10(11)9-3-2-5-15-8-9/h2-6,8,10-11H,7H2,1H3,(H,18,20)(H,16,17,19)/t10-,11+/m1/s1.
What are the key properties of trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide?
trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide has a molecular weight of 285.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-pyridin-3-ylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 94388489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).