tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate

C17H21N5O3 — CID 138047384

IUPACtert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(N)n2)nc1
InChIInChI=1S/C17H21N5O3/c1-17(2,3)25-16(24)22-12-7-8-13(19-9-12)15(23)20-10-11-5-4-6-14(18)21-11/h4-9H,10H2,1-3H3,(H2,18,21)(H,20,23)(H,22,24)
InChIKeyYXCHAGDVZBCCTC-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate

tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate (PubChem CID 138047384) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate
PubChem CID138047384
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nametert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(N)n2)nc1
InChIInChI=1S/C17H21N5O3/c1-17(2,3)25-16(24)22-12-7-8-13(19-9-12)15(23)20-10-11-5-4-6-14(18)21-11/h4-9H,10H2,1-3H3,(H2,18,21)(H,20,23)(H,22,24)
InChIKeyYXCHAGDVZBCCTC-UHFFFAOYSA-N
XLogP2.34
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799
5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113381971
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
diethyl oxalate;ethyl 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-2,4-dioxobutanoate
CID 157051826
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
tert-butyl N-[4-[(3-aminophenyl)methylcarbamoyl]-1,3-thiazol-2-yl]carbamate
CID 53397291

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate (CID 138047384) is tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(N)n2)nc1.
What is the InChIKey of tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate?
The InChIKey is YXCHAGDVZBCCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-17(2,3)25-16(24)22-12-7-8-13(19-9-12)15(23)20-10-11-5-4-6-14(18)21-11/h4-9H,10H2,1-3H3,(H2,18,21)(H,20,23)(H,22,24).
What are the key properties of tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate?
tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate has a molecular weight of 343.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(6-amino-2-pyridinyl)methylcarbamoyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 138047384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).