5-(pyridin-4-ylmethylamino)pentanamide

C11H17N3O — CID 106233961

IUPAC5-(pyridin-4-ylmethylamino)pentanamide
SMILESNC(=O)CCCCNCc1ccncc1
InChIInChI=1S/C11H17N3O/c12-11(15)3-1-2-6-14-9-10-4-7-13-8-5-10/h4-5,7-8,14H,1-3,6,9H2,(H2,12,15)
InChIKeyDNYIVULDHMZHCI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.83
Rot. Bonds7

About 5-(pyridin-4-ylmethylamino)pentanamide

5-(pyridin-4-ylmethylamino)pentanamide (PubChem CID 106233961) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylamino)pentanamide.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylamino)pentanamide
PubChem CID106233961
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(pyridin-4-ylmethylamino)pentanamide
SMILESNC(=O)CCCCNCc1ccncc1
InChIInChI=1S/C11H17N3O/c12-11(15)3-1-2-6-14-9-10-4-7-13-8-5-10/h4-5,7-8,14H,1-3,6,9H2,(H2,12,15)
InChIKeyDNYIVULDHMZHCI-UHFFFAOYSA-N
XLogP0.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
CID 106234501
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
CID 106234184
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
ethane;pyridin-4-ylmethylurea
CID 144877282
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylamino)pentanamide?
The IUPAC name of 5-(pyridin-4-ylmethylamino)pentanamide (CID 106233961) is 5-(pyridin-4-ylmethylamino)pentanamide.
What is the SMILES notation for 5-(pyridin-4-ylmethylamino)pentanamide?
The canonical SMILES for 5-(pyridin-4-ylmethylamino)pentanamide is NC(=O)CCCCNCc1ccncc1.
What is the InChIKey of 5-(pyridin-4-ylmethylamino)pentanamide?
The InChIKey is DNYIVULDHMZHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(15)3-1-2-6-14-9-10-4-7-13-8-5-10/h4-5,7-8,14H,1-3,6,9H2,(H2,12,15).
What are the key properties of 5-(pyridin-4-ylmethylamino)pentanamide?
5-(pyridin-4-ylmethylamino)pentanamide has a molecular weight of 207.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylamino)pentanamide is sourced from PubChem (CID 106233961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).