N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H29N5O2 — CID 99836681

IUPACN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN1CCN([C@H](C)CNC(=O)c2cnc3onc(C(C)C)c3c2)CC1
InChIInChI=1S/C19H29N5O2/c1-5-23-6-8-24(9-7-23)14(4)11-20-18(25)15-10-16-17(13(2)3)22-26-19(16)21-12-15/h10,12-14H,5-9,11H2,1-4H3,(H,20,25)/t14-/m1/s1
InChIKeyNNIOVTPKYCJWDO-CQSZACIVSA-N
MW359.47 g/mol
LogP2.10
Rot. Bonds6

About N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 99836681) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID99836681
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN1CCN([C@H](C)CNC(=O)c2cnc3onc(C(C)C)c3c2)CC1
InChIInChI=1S/C19H29N5O2/c1-5-23-6-8-24(9-7-23)14(4)11-20-18(25)15-10-16-17(13(2)3)22-26-19(16)21-12-15/h10,12-14H,5-9,11H2,1-4H3,(H,20,25)/t14-/m1/s1
InChIKeyNNIOVTPKYCJWDO-CQSZACIVSA-N
XLogP2.10
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 99836681) is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCN1CCN([C@H](C)CNC(=O)c2cnc3onc(C(C)C)c3c2)CC1.
What is the InChIKey of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is NNIOVTPKYCJWDO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-5-23-6-8-24(9-7-23)14(4)11-20-18(25)15-10-16-17(13(2)3)22-26-19(16)21-12-15/h10,12-14H,5-9,11H2,1-4H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 99836681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).