N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide

C14H23N3O — CID 115272356

IUPACN-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide
SMILESCN(CC1CCNC1)C(=O)CCCc1cc[nH]c1
InChIInChI=1S/C14H23N3O/c1-17(11-13-6-8-16-10-13)14(18)4-2-3-12-5-7-15-9-12/h5,7,9,13,15-16H,2-4,6,8,10-11H2,1H3
InChIKeyVJQPNLDFKRCYPK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.41
Rot. Bonds6

About N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide

N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide (PubChem CID 115272356) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide
PubChem CID115272356
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide
SMILESCN(CC1CCNC1)C(=O)CCCc1cc[nH]c1
InChIInChI=1S/C14H23N3O/c1-17(11-13-6-8-16-10-13)14(18)4-2-3-12-5-7-15-9-12/h5,7,9,13,15-16H,2-4,6,8,10-11H2,1H3
InChIKeyVJQPNLDFKRCYPK-UHFFFAOYSA-N
XLogP1.41
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115272348
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
N-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115272269
N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628049
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
CID 116846512
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide (CID 115272356) is N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide is CN(CC1CCNC1)C(=O)CCCc1cc[nH]c1.
What is the InChIKey of N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide?
The InChIKey is VJQPNLDFKRCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(11-13-6-8-16-10-13)14(18)4-2-3-12-5-7-15-9-12/h5,7,9,13,15-16H,2-4,6,8,10-11H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide?
N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 115272356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).