N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide

C19H30N4O — CID 134127956

IUPACN-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCC1CNNC1)N(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C19H30N4O/c24-19(10-4-6-16-13-21-22-14-16)23(18-8-2-1-3-9-18)15-17-7-5-11-20-12-17/h5,7,11-12,16,18,21-22H,1-4,6,8-10,13-15H2
InChIKeyFTZLUSZQOPGJDK-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.64
Rot. Bonds7

About N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide

N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 134127956) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID134127956
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCC1CNNC1)N(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C19H30N4O/c24-19(10-4-6-16-13-21-22-14-16)23(18-8-2-1-3-9-18)15-17-7-5-11-20-12-17/h5,7,11-12,16,18,21-22H,1-4,6,8-10,13-15H2
InChIKeyFTZLUSZQOPGJDK-UHFFFAOYSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 77095410
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 95740479
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
N-cyclopropyl-2-morpholin-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 66428274

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide (CID 134127956) is N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCC1CNNC1)N(Cc1cccnc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is FTZLUSZQOPGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c24-19(10-4-6-16-13-21-22-14-16)23(18-8-2-1-3-9-18)15-17-7-5-11-20-12-17/h5,7,11-12,16,18,21-22H,1-4,6,8-10,13-15H2.
What are the key properties of N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide?
N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 330.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 134127956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).