5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide

C12H20N4O2 — CID 82948360

IUPAC5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
SMILESCOCCN(c1ncc(N)cc1C(N)=O)C(C)C
InChIInChI=1S/C12H20N4O2/c1-8(2)16(4-5-18-3)12-10(11(14)17)6-9(13)7-15-12/h6-8H,4-5,13H2,1-3H3,(H2,14,17)
InChIKeyXRVRPNAMBFADME-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.62
Rot. Bonds6

About 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide

5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 82948360) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
PubChem CID82948360
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
SMILESCOCCN(c1ncc(N)cc1C(N)=O)C(C)C
InChIInChI=1S/C12H20N4O2/c1-8(2)16(4-5-18-3)12-10(11(14)17)6-9(13)7-15-12/h6-8H,4-5,13H2,1-3H3,(H2,14,17)
InChIKeyXRVRPNAMBFADME-UHFFFAOYSA-N
XLogP0.62
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011059
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 114047100
5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
5-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 82949133
5-amino-2-(diethylamino)pyridine-3-carboxamide
CID 61359746
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
CID 79535258

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide (CID 82948360) is 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide is COCCN(c1ncc(N)cc1C(N)=O)C(C)C.
What is the InChIKey of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is XRVRPNAMBFADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)16(4-5-18-3)12-10(11(14)17)6-9(13)7-15-12/h6-8H,4-5,13H2,1-3H3,(H2,14,17).
What are the key properties of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide?
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 82948360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).