6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

C19H25N7O2 — CID 95214109

IUPAC6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C[C@H](C)Nc2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)n[nH]1
InChIInChI=1S/C19H25N7O2/c1-11(2)19-23-17(26-28-19)10-21-18(27)14-5-6-16(20-9-14)22-12(3)7-15-8-13(4)24-25-15/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,22)(H,21,27)(H,24,25)/t12-/m0/s1
InChIKeyQAKZCJLWHAXGSE-LBPRGKRZSA-N
MW383.46 g/mol
LogP2.59
Rot. Bonds8

About 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 95214109) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID95214109
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C[C@H](C)Nc2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)n[nH]1
InChIInChI=1S/C19H25N7O2/c1-11(2)19-23-17(26-28-19)10-21-18(27)14-5-6-16(20-9-14)22-12(3)7-15-8-13(4)24-25-15/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,22)(H,21,27)(H,24,25)/t12-/m0/s1
InChIKeyQAKZCJLWHAXGSE-LBPRGKRZSA-N
XLogP2.59
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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6-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56753867
6-(2-methylprop-2-enylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
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CID 26391523
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6-[4-(2-hydroxyethyl)piperidin-1-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 56743777
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
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[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide (CID 95214109) is 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is Cc1cc(C[C@H](C)Nc2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)n[nH]1.
What is the InChIKey of 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QAKZCJLWHAXGSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-11(2)19-23-17(26-28-19)10-21-18(27)14-5-6-16(20-9-14)22-12(3)7-15-8-13(4)24-25-15/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,22)(H,21,27)(H,24,25)/t12-/m0/s1.
What are the key properties of 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide?
6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95214109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).