5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide

C11H17N5O2 — CID 54950472

IUPAC5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide
SMILESCC(Nc1ncc(N)cc1C(N)=O)C(=O)N(C)C
InChIInChI=1S/C11H17N5O2/c1-6(11(18)16(2)3)15-10-8(9(13)17)4-7(12)5-14-10/h4-6H,12H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyBMMYRZPXSUJDJZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.35
Rot. Bonds4

About 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide

5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide (PubChem CID 54950472) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide
PubChem CID54950472
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide
SMILESCC(Nc1ncc(N)cc1C(N)=O)C(=O)N(C)C
InChIInChI=1S/C11H17N5O2/c1-6(11(18)16(2)3)15-10-8(9(13)17)4-7(12)5-14-10/h4-6H,12H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyBMMYRZPXSUJDJZ-UHFFFAOYSA-N
XLogP-0.35
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 83177593
5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 65049915
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875156
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide (CID 54950472) is 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide is CC(Nc1ncc(N)cc1C(N)=O)C(=O)N(C)C.
What is the InChIKey of 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is BMMYRZPXSUJDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-6(11(18)16(2)3)15-10-8(9(13)17)4-7(12)5-14-10/h4-6H,12H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide?
5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 54950472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).