N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide

C20H30N4O — CID 50783439

IUPACN-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccnc1N1CCC(CN2CCCC2)CC1)C1CCC1
InChIInChI=1S/C20H30N4O/c25-20(17-5-3-6-17)22-18-7-4-10-21-19(18)24-13-8-16(9-14-24)15-23-11-1-2-12-23/h4,7,10,16-17H,1-3,5-6,8-9,11-15H2,(H,22,25)
InChIKeySFECDYVIJDRRGB-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.13
Rot. Bonds5

About N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 50783439) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID50783439
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccnc1N1CCC(CN2CCCC2)CC1)C1CCC1
InChIInChI=1S/C20H30N4O/c25-20(17-5-3-6-17)22-18-7-4-10-21-19(18)24-13-8-16(9-14-24)15-23-11-1-2-12-23/h4,7,10,16-17H,1-3,5-6,8-9,11-15H2,(H,22,25)
InChIKeySFECDYVIJDRRGB-UHFFFAOYSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307462
3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307548
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307637
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307301
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 60576710
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 53307373

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 50783439) is N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cccnc1N1CCC(CN2CCCC2)CC1)C1CCC1.
What is the InChIKey of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is SFECDYVIJDRRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(17-5-3-6-17)22-18-7-4-10-21-19(18)24-13-8-16(9-14-24)15-23-11-1-2-12-23/h4,7,10,16-17H,1-3,5-6,8-9,11-15H2,(H,22,25).
What are the key properties of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide?
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 50783439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).