1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea

C16H25Cl2N5O — CID 143176342

IUPAC1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)NCCNc1c(Cl)cncc1Cl
InChIInChI=1S/C16H25Cl2N5O/c17-13-11-19-12-14(18)15(13)20-6-7-22-16(24)21-5-4-10-23-8-2-1-3-9-23/h11-12H,1-10H2,(H,19,20)(H2,21,22,24)
InChIKeyHNTPIIQVPWDCHQ-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.98
Rot. Bonds8

About 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea

1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 143176342) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea
PubChem CID143176342
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)NCCNc1c(Cl)cncc1Cl
InChIInChI=1S/C16H25Cl2N5O/c17-13-11-19-12-14(18)15(13)20-6-7-22-16(24)21-5-4-10-23-8-2-1-3-9-23/h11-12H,1-10H2,(H,19,20)(H2,21,22,24)
InChIKeyHNTPIIQVPWDCHQ-UHFFFAOYSA-N
XLogP2.98
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.98
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

4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55792435
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143176399
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea (CID 143176342) is 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea is O=C(NCCCN1CCCCC1)NCCNc1c(Cl)cncc1Cl.
What is the InChIKey of 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is HNTPIIQVPWDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N5O/c17-13-11-19-12-14(18)15(13)20-6-7-22-16(24)21-5-4-10-23-8-2-1-3-9-23/h11-12H,1-10H2,(H,19,20)(H2,21,22,24).
What are the key properties of 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea?
1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 374.32 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichloro-4-pyridinyl)amino]ethyl]-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 143176342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).