4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide

C17H28N4O — CID 82034210

IUPAC4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide
SMILESNCCCC(=O)Nc1ccc(NC2CCCCCCC2)cn1
InChIInChI=1S/C17H28N4O/c18-12-6-9-17(22)21-16-11-10-15(13-19-16)20-14-7-4-2-1-3-5-8-14/h10-11,13-14,20H,1-9,12,18H2,(H,19,21,22)
InChIKeyXUYCORYJOSXNRA-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.28
Rot. Bonds6

About 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide

4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide (PubChem CID 82034210) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide
PubChem CID82034210
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide
SMILESNCCCC(=O)Nc1ccc(NC2CCCCCCC2)cn1
InChIInChI=1S/C17H28N4O/c18-12-6-9-17(22)21-16-11-10-15(13-19-16)20-14-7-4-2-1-3-5-8-14/h10-11,13-14,20H,1-9,12,18H2,(H,19,21,22)
InChIKeyXUYCORYJOSXNRA-UHFFFAOYSA-N
XLogP3.28
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 82034192
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
4-amino-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]butanamide
CID 82034236
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide?
The IUPAC name of 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide (CID 82034210) is 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide is NCCCC(=O)Nc1ccc(NC2CCCCCCC2)cn1.
What is the InChIKey of 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide?
The InChIKey is XUYCORYJOSXNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c18-12-6-9-17(22)21-16-11-10-15(13-19-16)20-14-7-4-2-1-3-5-8-14/h10-11,13-14,20H,1-9,12,18H2,(H,19,21,22).
What are the key properties of 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide?
4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide has a molecular weight of 304.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 82034210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).