[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H27N5O — CID 56824947

IUPAC[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCCN(c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1)C(C)C
InChIInChI=1S/C19H27N5O/c1-5-23(14(2)3)18-9-8-15(11-20-18)19(25)24-10-6-7-17(24)16-12-21-22(4)13-16/h8-9,11-14,17H,5-7,10H2,1-4H3
InChIKeyACKZQEVNXCOJCX-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.03
Rot. Bonds5

About [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56824947) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56824947
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCCN(c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1)C(C)C
InChIInChI=1S/C19H27N5O/c1-5-23(14(2)3)18-9-8-15(11-20-18)19(25)24-10-6-7-17(24)16-12-21-22(4)13-16/h8-9,11-14,17H,5-7,10H2,1-4H3
InChIKeyACKZQEVNXCOJCX-UHFFFAOYSA-N
XLogP3.03
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56824947) is [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is CCN(c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1)C(C)C.
What is the InChIKey of [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ACKZQEVNXCOJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-23(14(2)3)18-9-8-15(11-20-18)19(25)24-10-6-7-17(24)16-12-21-22(4)13-16/h8-9,11-14,17H,5-7,10H2,1-4H3.
What are the key properties of [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(propan-2-yl)amino]-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56824947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).