6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide

C16H22IN3O3 — CID 97092299

IUPAC6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nc1I
InChIInChI=1S/C16H22IN3O3/c1-10-6-4-5-9-20(10)16(22)11(2)18-15(21)12-7-8-13(23-3)14(17)19-12/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyYKYZQRUGDPCVLH-QWRGUYRKSA-N
MW431.27 g/mol
LogP2.21
Rot. Bonds4

About 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide

6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide (PubChem CID 97092299) has the molecular formula C16H22IN3O3 and a molecular weight of 431.27 g/mol. Its IUPAC name is 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide
PubChem CID97092299
Molecular FormulaC16H22IN3O3
Molecular Weight431.27 g/mol
Exact Mass431.07
IUPAC Name6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nc1I
InChIInChI=1S/C16H22IN3O3/c1-10-6-4-5-9-20(10)16(22)11(2)18-15(21)12-7-8-13(23-3)14(17)19-12/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyYKYZQRUGDPCVLH-QWRGUYRKSA-N
XLogP2.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-iodo-5-methoxy-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71906921
N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 95296071
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 95612434
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074
1-[[4-(methoxymethyl)phenyl]methyl]-3-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95382868
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 95330368
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
(2S)-2-[[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]carbamoylamino]-2-phenylacetamide
CID 95338642
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95383411

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide (CID 97092299) is 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide is COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nc1I.
What is the InChIKey of 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide?
The InChIKey is YKYZQRUGDPCVLH-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H22IN3O3/c1-10-6-4-5-9-20(10)16(22)11(2)18-15(21)12-7-8-13(23-3)14(17)19-12/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)/t10-,11-/m0/s1.
What are the key properties of 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide?
6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methoxy-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97092299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).