N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide

C16H21N5O2S — CID 124617062

IUPACN-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
SMILESCc1csc([C@H](C)CNC(=O)NCCNC(=O)c2cccnc2)n1
InChIInChI=1S/C16H21N5O2S/c1-11(15-21-12(2)10-24-15)8-20-16(23)19-7-6-18-14(22)13-4-3-5-17-9-13/h3-5,9-11H,6-8H2,1-2H3,(H,18,22)(H2,19,20,23)/t11-/m1/s1
InChIKeyLQQWPTLJELRIGC-LLVKDONJSA-N
MW347.44 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide

N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide (PubChem CID 124617062) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
PubChem CID124617062
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
SMILESCc1csc([C@H](C)CNC(=O)NCCNC(=O)c2cccnc2)n1
InChIInChI=1S/C16H21N5O2S/c1-11(15-21-12(2)10-24-15)8-20-16(23)19-7-6-18-14(22)13-4-3-5-17-9-13/h3-5,9-11H,6-8H2,1-2H3,(H,18,22)(H2,19,20,23)/t11-/m1/s1
InChIKeyLQQWPTLJELRIGC-LLVKDONJSA-N
XLogP1.68
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl] pyridine-3-carboxylate
CID 99856884
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide (CID 124617062) is N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide is Cc1csc([C@H](C)CNC(=O)NCCNC(=O)c2cccnc2)n1.
What is the InChIKey of N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is LQQWPTLJELRIGC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11(15-21-12(2)10-24-15)8-20-16(23)19-7-6-18-14(22)13-4-3-5-17-9-13/h3-5,9-11H,6-8H2,1-2H3,(H,18,22)(H2,19,20,23)/t11-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 124617062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).