6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide

C16H26N4O2 — CID 167147026

IUPAC6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cc(N[C@@H]2CCCC(O)C2)c(C(N)=O)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)20-14-8-13(12(9-18-14)15(17)22)19-10-5-4-6-11(21)7-10/h8-11,21H,4-7H2,1-3H3,(H2,17,22)(H2,18,19,20)/t10-,11?/m1/s1
InChIKeyVWMAVURDTCZXDD-NFJWQWPMSA-N
MW306.41 g/mol
LogP2.11
Rot. Bonds4

About 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide

6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 167147026) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
PubChem CID167147026
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cc(N[C@@H]2CCCC(O)C2)c(C(N)=O)cn1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)20-14-8-13(12(9-18-14)15(17)22)19-10-5-4-6-11(21)7-10/h8-11,21H,4-7H2,1-3H3,(H2,17,22)(H2,18,19,20)/t10-,11?/m1/s1
InChIKeyVWMAVURDTCZXDD-NFJWQWPMSA-N
XLogP2.11
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide (CID 167147026) is 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide is CC(C)(C)Nc1cc(N[C@@H]2CCCC(O)C2)c(C(N)=O)cn1.
What is the InChIKey of 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is VWMAVURDTCZXDD-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)20-14-8-13(12(9-18-14)15(17)22)19-10-5-4-6-11(21)7-10/h8-11,21H,4-7H2,1-3H3,(H2,17,22)(H2,18,19,20)/t10-,11?/m1/s1.
What are the key properties of 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-4-[[(1R)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167147026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).