1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea

C20H31N5O2 — CID 168813877

IUPAC1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea
SMILESO=C(NCCCCCC1CCN(C(=O)C2CCCN2)C1)Nc1ccncc1
InChIInChI=1S/C20H31N5O2/c26-19(18-6-4-11-22-18)25-14-9-16(15-25)5-2-1-3-10-23-20(27)24-17-7-12-21-13-8-17/h7-8,12-13,16,18,22H,1-6,9-11,14-15H2,(H2,21,23,24,27)
InChIKeyXEXLPJSAWXWNFC-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.36
Rot. Bonds8

About 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea

1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea (PubChem CID 168813877) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea
PubChem CID168813877
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea
SMILESO=C(NCCCCCC1CCN(C(=O)C2CCCN2)C1)Nc1ccncc1
InChIInChI=1S/C20H31N5O2/c26-19(18-6-4-11-22-18)25-14-9-16(15-25)5-2-1-3-10-23-20(27)24-17-7-12-21-13-8-17/h7-8,12-13,16,18,22H,1-6,9-11,14-15H2,(H2,21,23,24,27)
InChIKeyXEXLPJSAWXWNFC-UHFFFAOYSA-N
XLogP2.36
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119336604
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119896732
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea?
The IUPAC name of 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea (CID 168813877) is 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea.
What is the SMILES notation for 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea?
The canonical SMILES for 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea is O=C(NCCCCCC1CCN(C(=O)C2CCCN2)C1)Nc1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea?
The InChIKey is XEXLPJSAWXWNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19(18-6-4-11-22-18)25-14-9-16(15-25)5-2-1-3-10-23-20(27)24-17-7-12-21-13-8-17/h7-8,12-13,16,18,22H,1-6,9-11,14-15H2,(H2,21,23,24,27).
What are the key properties of 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea?
1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea has a molecular weight of 373.50 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea is sourced from PubChem (CID 168813877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).