N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C23H37ClN6O4S — CID 46880458

IUPACN-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCCCC[C@@](C)(N)c1nnc(-c2cc(N(CCOC)C[C@H]3C[C@@H]3C)nc(N(C)S(C)(=O)=O)c2Cl)o1
InChIInChI=1S/C23H37ClN6O4S/c1-7-8-9-23(3,25)22-28-27-21(34-22)17-13-18(26-20(19(17)24)29(4)35(6,31)32)30(10-11-33-5)14-16-12-15(16)2/h13,15-16H,7-12,14,25H2,1-6H3/t15-,16+,23+/m0/s1
InChIKeyDTPHIOGHYOZECI-NXHTTZLHSA-N
MW529.11 g/mol
LogP3.65
Rot. Bonds13

About N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 46880458) has the molecular formula C23H37ClN6O4S and a molecular weight of 529.11 g/mol. Its IUPAC name is N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID46880458
Molecular FormulaC23H37ClN6O4S
Molecular Weight529.11 g/mol
Exact Mass528.23
IUPAC NameN-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCCCC[C@@](C)(N)c1nnc(-c2cc(N(CCOC)C[C@H]3C[C@@H]3C)nc(N(C)S(C)(=O)=O)c2Cl)o1
InChIInChI=1S/C23H37ClN6O4S/c1-7-8-9-23(3,25)22-28-27-21(34-22)17-13-18(26-20(19(17)24)29(4)35(6,31)32)30(10-11-33-5)14-16-12-15(16)2/h13,15-16H,7-12,14,25H2,1-6H3/t15-,16+,23+/m0/s1
InChIKeyDTPHIOGHYOZECI-NXHTTZLHSA-N
XLogP3.65
TPSA127.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 46880458) is N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is CCCC[C@@](C)(N)c1nnc(-c2cc(N(CCOC)C[C@H]3C[C@@H]3C)nc(N(C)S(C)(=O)=O)c2Cl)o1.
What is the InChIKey of N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is DTPHIOGHYOZECI-NXHTTZLHSA-N. The full InChI is InChI=1S/C23H37ClN6O4S/c1-7-8-9-23(3,25)22-28-27-21(34-22)17-13-18(26-20(19(17)24)29(4)35(6,31)32)30(10-11-33-5)14-16-12-15(16)2/h13,15-16H,7-12,14,25H2,1-6H3/t15-,16+,23+/m0/s1.
What are the key properties of N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 529.11 g/mol, XLogP of 3.65, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-2-aminohexan-2-yl]-1,3,4-oxadiazol-2-yl]-3-chloro-6-[2-methoxyethyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 46880458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).