N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide

C10H13N3O2 — CID 146416600

IUPACN-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)N=O)cn1
InChIInChI=1S/C10H13N3O2/c1-3-10(14)12-9-5-4-8(6-11-9)7(2)13-15/h4-7H,3H2,1-2H3,(H,11,12,14)
InChIKeyLAGBMTROLXTYHN-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.26
Rot. Bonds4

About N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide

N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide (PubChem CID 146416600) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide
PubChem CID146416600
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)N=O)cn1
InChIInChI=1S/C10H13N3O2/c1-3-10(14)12-9-5-4-8(6-11-9)7(2)13-15/h4-7H,3H2,1-2H3,(H,11,12,14)
InChIKeyLAGBMTROLXTYHN-UHFFFAOYSA-N
XLogP2.26
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
2-amino-N-(5-propan-2-yl-2-pyridinyl)acetamide
CID 167366169
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170
(1R)-1-[6-(propylamino)-3-pyridinyl]ethanol
CID 124502793
N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propanamide
CID 123161282
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[5-(1-methoxyethyl)-2-pyridinyl]acetamide
CID 163950546
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide (CID 146416600) is N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(C(C)N=O)cn1.
What is the InChIKey of N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide?
The InChIKey is LAGBMTROLXTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-10(14)12-9-5-4-8(6-11-9)7(2)13-15/h4-7H,3H2,1-2H3,(H,11,12,14).
What are the key properties of N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide?
N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide has a molecular weight of 207.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-nitrosoethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 146416600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).