tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate

C19H22ClN3O2 — CID 163404581

IUPACtert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ncc(-c3cccnc3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c1-18(2,3)25-17(24)23-12-19(6-7-19)16-15(20)9-14(11-22-16)13-5-4-8-21-10-13/h4-5,8-11H,6-7,12H2,1-3H3,(H,23,24)
InChIKeyGKJWLZQXLAUFKB-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate

tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate (PubChem CID 163404581) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate
PubChem CID163404581
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Nametert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ncc(-c3cccnc3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c1-18(2,3)25-17(24)23-12-19(6-7-19)16-15(20)9-14(11-22-16)13-5-4-8-21-10-13/h4-5,8-11H,6-7,12H2,1-3H3,(H,23,24)
InChIKeyGKJWLZQXLAUFKB-UHFFFAOYSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
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CID 70295633
tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
CID 67289423
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
tert-butyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 155247565
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137476970
N-[[1-[3-chloro-5-(2-chlorothiophen-3-yl)-2-pyridinyl]cyclopropyl]methyl]-2,6-difluorobenzamide
CID 71556110
methyl 3-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]benzoate
CID 166172399
tert-butyl N-[[3-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
CID 155247579
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate (CID 163404581) is tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ncc(-c3cccnc3)cc2Cl)CC1.
What is the InChIKey of tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate?
The InChIKey is GKJWLZQXLAUFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-18(2,3)25-17(24)23-12-19(6-7-19)16-15(20)9-14(11-22-16)13-5-4-8-21-10-13/h4-5,8-11H,6-7,12H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate has a molecular weight of 359.86 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(3-chloro-5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 163404581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).