3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide

C13H24N4O2 — CID 104979134

IUPAC3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H24N4O2/c1-14-13(19)16-12(18)6-8-17(11-4-5-11)9-10-3-2-7-15-10/h10-11,15H,2-9H2,1H3,(H2,14,16,18,19)
InChIKeySWUZEEXJJGMQBW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.05
Rot. Bonds6

About 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide

3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 104979134) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID104979134
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H24N4O2/c1-14-13(19)16-12(18)6-8-17(11-4-5-11)9-10-3-2-7-15-10/h10-11,15H,2-9H2,1H3,(H2,14,16,18,19)
InChIKeySWUZEEXJJGMQBW-UHFFFAOYSA-N
XLogP0.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614633
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106631667
N-(3-methylbut-3-enyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631714
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 106631546
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617540
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide (CID 104979134) is 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN(CC1CCCN1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is SWUZEEXJJGMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-14-13(19)16-12(18)6-8-17(11-4-5-11)9-10-3-2-7-15-10/h10-11,15H,2-9H2,1H3,(H2,14,16,18,19).
What are the key properties of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide?
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 104979134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).