4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide

C11H17N3O2 — CID 75485160

IUPAC4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C11H17N3O2/c1-8(7-15)13-11(16)10-6-9(14(2)3)4-5-12-10/h4-6,8,15H,7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyVKFHXDWCBUDEMB-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.26
Rot. Bonds4

About 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide

4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide (PubChem CID 75485160) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
PubChem CID75485160
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C11H17N3O2/c1-8(7-15)13-11(16)10-6-9(14(2)3)4-5-12-10/h4-6,8,15H,7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyVKFHXDWCBUDEMB-QMMMGPOBSA-N
XLogP0.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide (CID 75485160) is 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide is C[C@@H](CO)NC(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
The InChIKey is VKFHXDWCBUDEMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(7-15)13-11(16)10-6-9(14(2)3)4-5-12-10/h4-6,8,15H,7H2,1-3H3,(H,13,16)/t8-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide?
4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 75485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).