N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

C18H27N5O2 — CID 164639877

IUPACN-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(N[C@H]1CCN(c2cc(N3CCOCC3)cnn2)C1)C1CCCC1
InChIInChI=1S/C18H27N5O2/c24-18(14-3-1-2-4-14)20-15-5-6-23(13-15)17-11-16(12-19-21-17)22-7-9-25-10-8-22/h11-12,14-15H,1-10,13H2,(H,20,24)/t15-/m0/s1
InChIKeyVKKARNFTWRXJSA-HNNXBMFYSA-N
MW345.45 g/mol
LogP1.20
Rot. Bonds4

About N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 164639877) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID164639877
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(N[C@H]1CCN(c2cc(N3CCOCC3)cnn2)C1)C1CCCC1
InChIInChI=1S/C18H27N5O2/c24-18(14-3-1-2-4-14)20-15-5-6-23(13-15)17-11-16(12-19-21-17)22-7-9-25-10-8-22/h11-12,14-15H,1-10,13H2,(H,20,24)/t15-/m0/s1
InChIKeyVKKARNFTWRXJSA-HNNXBMFYSA-N
XLogP1.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide (CID 164639877) is N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is O=C(N[C@H]1CCN(c2cc(N3CCOCC3)cnn2)C1)C1CCCC1.
What is the InChIKey of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is VKKARNFTWRXJSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-18(14-3-1-2-4-14)20-15-5-6-23(13-15)17-11-16(12-19-21-17)22-7-9-25-10-8-22/h11-12,14-15H,1-10,13H2,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide?
N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5-morpholin-4-ylpyridazin-3-yl)pyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 164639877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).