phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate

C14H15N3O2 — CID 63374978

IUPACphenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
SMILESCN(C)c1ccncc1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H15N3O2/c1-17(2)13-8-9-15-10-12(13)16-14(18)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,18)
InChIKeyHPEJLQACSACSON-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds3

About phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate

phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate (PubChem CID 63374978) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
PubChem CID63374978
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namephenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
SMILESCN(C)c1ccncc1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H15N3O2/c1-17(2)13-8-9-15-10-12(13)16-14(18)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,18)
InChIKeyHPEJLQACSACSON-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
(Z)-4-[[4-(dimethylamino)-3-pyridinyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169837
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76893750
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928632
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
phenyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-pyridinyl]carbamate
CID 86676146
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60843296
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
phenyl N-phenoxycarbonylcarbamate
CID 11043392

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate (CID 63374978) is phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate is CN(C)c1ccncc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate?
The InChIKey is HPEJLQACSACSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)13-8-9-15-10-12(13)16-14(18)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,18).
What are the key properties of phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate?
phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 63374978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).