pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate

C14H21N3O3 — CID 143418970

IUPACpyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate
SMILESCN(C=O)C(NC(=O)OCc1ccncc1)C(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-14(2,3)12(17(4)10-18)16-13(19)20-9-11-5-7-15-8-6-11/h5-8,10,12H,9H2,1-4H3,(H,16,19)
InChIKeyIETNXOGDOLZIHR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.77
Rot. Bonds5

About pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate

pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate (PubChem CID 143418970) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate
PubChem CID143418970
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namepyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate
SMILESCN(C=O)C(NC(=O)OCc1ccncc1)C(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-14(2,3)12(17(4)10-18)16-13(19)20-9-11-5-7-15-8-6-11/h5-8,10,12H,9H2,1-4H3,(H,16,19)
InChIKeyIETNXOGDOLZIHR-UHFFFAOYSA-N
XLogP1.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
pyridin-4-ylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 90470317
methyl (2S)-3-(4-hydroxyphenyl)-2-(pyridin-4-ylmethoxycarbonylamino)propanoate
CID 131740234
pyridin-4-ylmethyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 70009903
(2S)-4-methyl-2-(pyridin-4-ylmethoxycarbonylamino)pentanoic acid
CID 10858403
(2R)-2-(phenylmethoxycarbonylamino)-3-(pyridin-4-ylmethylsulfanyl)propanoic acid
CID 71389639
pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate
CID 44543958
benzyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 87040217
3-(4-hydroxyphenyl)-2-methyl-2-(pyridin-4-ylmethoxycarbonylamino)propanoic acid
CID 76807557
(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
CID 91872585
tert-butyl 4-(phenylmethoxycarbonylamino)-4-pyridin-4-ylbutanoate
CID 132512694
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate?
The IUPAC name of pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate (CID 143418970) is pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate is CN(C=O)C(NC(=O)OCc1ccncc1)C(C)(C)C.
What is the InChIKey of pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate?
The InChIKey is IETNXOGDOLZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)12(17(4)10-18)16-13(19)20-9-11-5-7-15-8-6-11/h5-8,10,12H,9H2,1-4H3,(H,16,19).
What are the key properties of pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate?
pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 143418970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).