ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide

C10H19N3O — CID 145197968

IUPACethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
SMILESCC.NC(=O)CCNc1cccnc1.[H][H]
InChIInChI=1S/C8H11N3O.C2H6.H2/c9-8(12)3-5-11-7-2-1-4-10-6-7;1-2;/h1-2,4,6,11H,3,5H2,(H2,9,12);1-2H3;1H
InChIKeyVTDKSVWDKFTWCQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds4

About ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide

ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide (PubChem CID 145197968) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
PubChem CID145197968
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide
SMILESCC.NC(=O)CCNc1cccnc1.[H][H]
InChIInChI=1S/C8H11N3O.C2H6.H2/c9-8(12)3-5-11-7-2-1-4-10-6-7;1-2;/h1-2,4,6,11H,3,5H2,(H2,9,12);1-2H3;1H
InChIKeyVTDKSVWDKFTWCQ-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(3-amino-3-oxopropyl)amino]benzamide
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5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
4-anilinobutanamide
CID 67066705
3-(3,4-dimethylanilino)propanamide
CID 43131963
boric acid;pyridin-3-ylurea
CID 175497836
butanedioic acid;pyridine-3-carboxamide
CID 159465776
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide?
The IUPAC name of ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide (CID 145197968) is ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide.
What is the SMILES notation for ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide?
The canonical SMILES for ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide is CC.NC(=O)CCNc1cccnc1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide?
The InChIKey is VTDKSVWDKFTWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6.H2/c9-8(12)3-5-11-7-2-1-4-10-6-7;1-2;/h1-2,4,6,11H,3,5H2,(H2,9,12);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide?
ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;3-(pyridin-3-ylamino)propanamide is sourced from PubChem (CID 145197968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).