cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide

C14H19N3O — CID 178174490

IUPACcis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide
SMILESCN[C@H]1CC[C@@H](C(=O)N/C=C/c2cccnc2)C1
InChIInChI=1S/C14H19N3O/c1-15-13-5-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11/h2-3,6-8,10,12-13,15H,4-5,9H2,1H3,(H,17,18)/b8-6+/t12-,13+/m1/s1
InChIKeyIDBMOUOWQRZFAK-DZTBXEGKSA-N
MW245.33 g/mol
LogP1.56
Rot. Bonds4

About cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide (PubChem CID 178174490) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide
PubChem CID178174490
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namecis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide
SMILESCN[C@H]1CC[C@@H](C(=O)N/C=C/c2cccnc2)C1
InChIInChI=1S/C14H19N3O/c1-15-13-5-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11/h2-3,6-8,10,12-13,15H,4-5,9H2,1H3,(H,17,18)/b8-6+/t12-,13+/m1/s1
InChIKeyIDBMOUOWQRZFAK-DZTBXEGKSA-N
XLogP1.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate
CID 22096594
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
CID 75417785
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 106741747
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide
CID 71979347
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
(E)-1-(1-adamantyl)-3-pyridin-3-ylprop-2-en-1-one;iodomethane
CID 126467817

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide (CID 178174490) is cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide is CN[C@H]1CC[C@@H](C(=O)N/C=C/c2cccnc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide?
The InChIKey is IDBMOUOWQRZFAK-DZTBXEGKSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-13-5-4-12(9-13)14(18)17-8-6-11-3-2-7-16-10-11/h2-3,6-8,10,12-13,15H,4-5,9H2,1H3,(H,17,18)/b8-6+/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(methylamino)-N-[(E)-2-pyridin-3-ylethenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 178174490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).