N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C22H31N5O2 — CID 110093175

IUPACN-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOCC(C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1
InChIInChI=1S/C22H31N5O2/c1-16-12-19(26-21-6-4-5-9-23-21)13-20(24-16)18-7-10-27(11-8-18)14-22(28)25-17(2)15-29-3/h4-6,9,12-13,17-18H,7-8,10-11,14-15H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyLACUKZXPOVJESI-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.86
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110093175) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110093175
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOCC(C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1
InChIInChI=1S/C22H31N5O2/c1-16-12-19(26-21-6-4-5-9-23-21)13-20(24-16)18-7-10-27(11-8-18)14-22(28)25-17(2)15-29-3/h4-6,9,12-13,17-18H,7-8,10-11,14-15H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyLACUKZXPOVJESI-UHFFFAOYSA-N
XLogP2.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110093175) is N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is COCC(C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is LACUKZXPOVJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-12-19(26-21-6-4-5-9-23-21)13-20(24-16)18-7-10-27(11-8-18)14-22(28)25-17(2)15-29-3/h4-6,9,12-13,17-18H,7-8,10-11,14-15H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).